SCHEMBL4047657

SCHEMBL4047657

N=C(NO)c1c[c]ccc1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
IDO1 P14902 1/20 0.31
ALOX15 P16050 1/20 0.31
HDAC1 Q13547 1/20 0.31
CA9 Q16790 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6280064 0.82 PRSS1 (0.34) PRSS1PRSS2C1SPRSS3RECQL
SCHEMBL4586265 0.77 PRSS1 (0.33) PRSS1PRSS2C1SPRSS3RECQL
SCHEMBL6159654 0.75 HDAC6 (0.56) HDAC3CA12CA1IDO1ALOX15
SCHEMBL296894 0.74
SCHEMBL6572006 0.73 TSHR (0.33) PRSS1PRSS2C1SPRSS3RECQL
SCHEMBL3284107 0.73
Benzamidoxime SCHEMBL194059 0.72 HDAC8 (0.50) HDAC3CA12CA1IDO1ALOX15
SCHEMBL27779236 0.71 ALDH1A1 (0.34) PRSS1PRSS2C1SPRSS3RECQL
Benzamidoxime SCHEMBL28112602 0.70 ALOX15 (0.48) HDAC3CA12CA1IDO1ALOX15
SCHEMBL12348299 0.69 HSD17B10 (0.36) HDAC3CA12CA1IDO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773843-A4 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS UNIV TEXAS (US) 2009-06-03 EP claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US claimed
EP-1773843-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2007-04-18 EP claimed
US-7135469-B2 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-11-14 US claimed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP claimed
WO-2006014404-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO claimed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 US claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP claimed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US claimed
EP-1149099-A2 IMIDAZO[4,5-C]-PYRIDINE-4-ON-DERIVATIVES MERCK PATENT GmbH (DE) 2001-10-31 EP claimed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP claimed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-2000040583-A2 IMIDAZO[4,5-C]-PYRIDINE-4-ON-DERIVATIVES MERCK PATENT GMBH (DE) 2000-07-13 WO claimed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors SRC, LCK, FYN HDAC3 4157/4885CA12 4863/4885CA1 4822/4885

“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.