SCHEMBL721905

SCHEMBL721905

[CH]NC(=O)C(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.53
POLB P06746 1/20 0.53
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS2 P35354 1/20 0.47
ELOVL1 Q9BW60 2/20 0.46
KCNQ2 O43526 1/20 0.46
FAAH O00519 1/20 0.46
GPR88 Q9GZN0 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL4729281 0.81 HDAC3 (0.63) GRM7POLBERCC1ERCC4LMNA
SCHEMBL7559906 0.81 HDAC3 (0.63) GRM7POLBERCC1ERCC4LMNA
SCHEMBL3135701 0.81 LMNA (0.55) GRM7POLBERCC1ERCC4LMNA
SCHEMBL2055561 0.81 LMNA (0.55) GRM7POLBERCC1ERCC4LMNA
SCHEMBL2055558 0.81 LMNA (0.55) GRM7POLBERCC1ERCC4LMNA
SCHEMBL6802546 0.80 CXCR1 (0.63) GRM7POLBERCC1ERCC4LMNA
SCHEMBL6266741 0.79 CTSD (0.64) GRM7POLBERCC1ERCC4LMNA
SCHEMBL18885406 0.79 GPR88 (0.53) GRM7POLBERCC1ERCC4LMNA
SCHEMBL19648441 0.79 GRM7 (0.57) GRM7POLBERCC1ERCC4LMNA
SCHEMBL8016181 0.79 GPR88 (0.53) GRM7POLBERCC1ERCC4LMNA

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 36 patents — showing the first 20. 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
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO 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 GRM7 607/4885POLB 744/4885ERCC1 3100/4885
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 GRM7 3188/4885POLB 664/4885ERCC1 3958/4885
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 GRM7 607/4885POLB 744/4885ERCC1 3100/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB GRM7 659/4885POLB 915/4885ERCC1 2647/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 GRM7 607/4885POLB 744/4885ERCC1 3100/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 GRM7 607/4885POLB 744/4885ERCC1 3100/4885

“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.