SCHEMBL820246

SCHEMBL820246

NC(=O)c1ccc(OBO)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 18/20 0.61
PARP15 Q460N3 5/20 0.61
PARP4 Q9UKK3 2/20 0.61
PARP14 Q460N5 2/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
PARP16 Q8N5Y8 1/20 0.61
PARP11 Q9NR21 1/20 0.61
PARP2 Q9UGN5 4/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PARP1 P09874 1/20 0.57
PARP3 Q9Y6F1 1/20 0.48
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL540837 0.84 PARP10 (0.64) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL2628977 0.80 CA1 (0.56) PARP10PARP15ALDH1A1KMT2ACA1
SCHEMBL12565754 0.78 MAPT (0.61) ALDH1A1KMT2A
SCHEMBL17480694 0.78 ALDH1A1 (0.41) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL14477632 0.78 MEN1 (0.33) KMT2ACA1CA2
SCHEMBL3034248 0.78 PARP10 (0.62) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL3137816 0.77 PARP10 (1.00) PARP10PARP15PARP4PARP14ALDH1A1
Terephthalamide SCHEMBL23774 0.75 PARP1 (0.71) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL8401760 0.75 ELANE (0.58) ALDH1A1KMT2A
SCHEMBL7604825 0.75 CA1 (0.64) ALDH1A1KMT2ACA1CA2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US disclosed
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-01-28 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 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
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER (US) 2015-04-16 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 US disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US 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 (13 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 PARP10 3928/4885PARP15 3382/4885PARP4 4054/4885
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PARP10 3417/4885PARP15 4307/4885PARP4 3810/4885
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 PARP10 637/4885PARP15 731/4885PARP4 697/4885
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PARP10 2069/4885PARP15 1994/4885PARP4 2297/4885
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 PARP10 1436/4885PARP15 1833/4885PARP4 1186/4885
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds BRD4, BRPF3, BRD3 PARP10 1029/4885PARP15 266/4885PARP4 767/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 PARP10 3928/4885PARP15 3382/4885PARP4 4054/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 PARP10 3928/4885PARP15 3382/4885PARP4 4054/4885
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 PARP10 637/4885PARP15 731/4885PARP4 697/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PARP10 2069/4885PARP15 1994/4885PARP4 2297/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB PARP10 723/4885PARP15 664/4885PARP4 843/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 PARP10 637/4885PARP15 731/4885PARP4 697/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 PARP10 637/4885PARP15 731/4885PARP4 697/4885

“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.