SCHEMBL1032852

SCHEMBL1032852

N#CCc1ccc(C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.52
PLA2G2A P14555 1/20 0.52
PARP10 Q53GL7 8/20 0.48
KMT2A Q03164 5/20 0.46
PARP15 Q460N3 2/20 0.46
PARP2 Q9UGN5 2/20 0.46
CYP17A1 P05093 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PARP4 Q9UKK3 2/20 0.43
PARP14 Q460N5 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP1 P09874 3/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL5323933 0.83 KMT2A (0.49) KMT2AALDH1A1POLBMAPTTDP1
SCHEMBL7366568 0.81 PLA2G10 (0.59) PLA2G10PLA2G2APARP10KMT2APARP15
SCHEMBL211305 0.81 ALDH1A1 (0.54) KMT2AALDH1A1POLBMAPTTSHR
SCHEMBL3455668 0.80 PLA2G10 (0.48) PLA2G10PLA2G2APARP10KMT2APARP15
SCHEMBL31481194 0.79 CA2 (0.57) KMT2AMAPTCA2
SCHEMBL9142779 0.79 KMT2A (0.59) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL7039295 0.79 KMT2A (0.46) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL2857119 0.77 ENPP2 (0.50) PARP10PARP15PARP2PARP14PARP1
Carbamic Acid SCHEMBL27400265 0.77 KMT2A (0.51) PLA2G10PLA2G2AKMT2AALDH1A1MAPT
SCHEMBL2154504 0.76 KMT2A (0.47) KMT2AMAPTTDP1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1904439-B1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTHECHNOLOGY CORP (US) 2014-11-26 EP claimed
US-8664261-B2 Organic compounds having cooling properties GIVAUDAN S.A. (CH) 2014-03-04 US claimed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US claimed
US-8377422-B2 Carboxamide derivatives having cooling properties GIVAUDAN S.A. (CH) 2013-02-19 US claimed
US-20120196018-A1 Organic Compounds GIVAUDAN SA (CH) 2012-08-02 US claimed
EP-2459010-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2012-06-06 EP claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents GIVAUDAN S.A. (CH) 2010-11-25 US claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US claimed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 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 (5 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-20100297038-A1 Benzimidazole Derivatives And Their Use As Cooling Agents OR10J3, H1-3, ORC3 PLA2G10 4256/4885PLA2G2A 4682/4885PARP10 1618/4885
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 PLA2G10 1026/4885PLA2G2A 1397/4885PARP10 1507/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG PLA2G10 3539/4885PLA2G2A 3896/4885PARP10 836/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A PLA2G10 3959/4885PLA2G2A 4072/4885PARP10 2519/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B PLA2G10 4106/4885PLA2G2A 4315/4885PARP10 2526/4885

“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.