SCHEMBL721245

SCHEMBL721245

[CH]NC(=O)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
EPHX2 P34913 2/20 0.61
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
AKR1B1 P15121 1/20 0.56
ALDH1A1 P00352 4/20 0.55
CNR2 P34972 2/20 0.55
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.52
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL699925 0.81 MEN1 (0.71) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL7107935 0.81 ALDH1A1 (0.77) MEN1KMT2AHDAC8HDAC6EPHX2
Phenylacetohydroxamic Acid SCHEMBL213873 0.79 HDAC8 (1.00) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL4821967 0.77 MEN1 (0.72) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL11242611 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL15338469 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL60236 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL4819267 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL4823048 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL4820447 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US claimed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US claimed
EP-3037421-A1 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2016-06-29 EP claimed
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-01-28 US claimed
US-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 US claimed
EP-2379561-B1 MLK INHIBITORS AND METHODS OF USE UNIV ROCHESTER (US) 2015-11-04 EP claimed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US claimed
EP-2925319-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES University Of Rochester (US) 2015-10-07 EP claimed
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER (US) 2015-04-16 US claimed
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 US claimed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US claimed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO claimed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US claimed
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP claimed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US claimed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO claimed
EP-2379561-A2 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2011-10-26 EP claimed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO claimed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO claimed
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US disclosed
EP-3037421-A1 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2016-06-29 EP disclosed
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-01-28 US disclosed
US-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 US disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
EP-2925319-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES University Of Rochester (US) 2015-10-07 EP disclosed
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER (US) 2015-04-16 US disclosed
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
EP-2379561-A2 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2011-10-26 EP disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed
EP-0738729-B1 Process for selectively reducing cephalosporin sulfoxides ACS DOBFAR SPA (IT) 2001-02-14 EP disclosed
US-5663330-A Process for the selective sulfoxide reduction of 3-hydroxy cephem and 3-methylene cepham compounds ACS DOBFAR S.P.A. (IT) 1997-09-02 US disclosed
EP-0738729-A1 Process for selectively reducing cephalosporin sulfoxides ACS DOBFAR S.p.A. (IT) 1996-10-23 EP disclosed
EP-0738729-A1 Process for selectively reducing cephalosporin sulfoxides ACS DOBFAR S.p.A. (IT) 1996-10-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885HDAC8 801/4885
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 MEN1 4220/4885KMT2A 1855/4885HDAC8 2417/4885
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885HDAC8 801/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MEN1 3771/4885KMT2A 544/4885HDAC8 479/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885HDAC8 801/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MEN1 1723/4885KMT2A 587/4885HDAC8 801/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.