SCHEMBL5679402

SCHEMBL5679402

Cc1cc(C)c2nc(N)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.51
FABP6 P51161 1/20 0.50
PNP P00491 2/20 0.47
HSD17B10 Q99714 2/20 0.43
RPS6KA3 P51812 1/20 0.42
PARP1 P09874 1/20 0.41
TYMS P04818 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ESR1 P03372 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38

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
SCHEMBL11669074 0.81 NUDT1 (0.60) NUDT1FABP6PNPHSD17B10KDM4E
SCHEMBL6856394 0.81 PLAU (0.49) NUDT1FABP6PNPRPS6KA3ALDH1A1
SCHEMBL10146528 0.79 PARP1 (0.56) HSD17B10RPS6KA3PARP1GRIN2DGRIN3B
SCHEMBL6485697 0.76 PARP1 (0.41) NUDT1HSD17B10RPS6KA3PARP1GRIN2D
SCHEMBL8872733 0.76 PARP1 (0.41) HSD17B10RPS6KA3PARP1GRIN2DGRIN3B
SCHEMBL14175140 0.76 PARP1 (0.41) NUDT1HSD17B10RPS6KA3PARP1GRIN2D
SCHEMBL4283192 0.76 ESR1 (0.41) NUDT1HSD17B10RPS6KA3PARP1GRIN2D
SCHEMBL6622913 0.76 FABP6 (0.55) NUDT1FABP6PNPRPS6KA3ALDH1A1
SCHEMBL29669307 0.76 FABP6 (0.55) NUDT1FABP6PNPRPS6KA3ALDH1A1
SCHEMBL4235176 0.75 DHODH (0.58)

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414448-B It can be used as the new compound of S100- inhibitor 活跃生物技术有限公司 2019-04-19 CN disclosed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
CN-106414448-A Novel compounds useful as s100-inhibitors 活跃生物技术有限公司 2017-02-15 CN disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 EP disclosed
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 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 (3 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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 NUDT1 429/4885FABP6 618/4885PNP 2479/4885
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 NUDT1 911/4885FABP6 4832/4885PNP 2833/4885
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B NUDT1 2826/4885FABP6 419/4885PNP 4136/4885

“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.