SCHEMBL1397499

SCHEMBL1397499

CSc1cccc(C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.57
TSHR P16473 4/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP15 Q460N3 2/20 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
SCHEMBL9863441 0.84 MEN1 (0.49) TSHRHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL27953642 0.83 ATM (0.52) TSHRHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL28443286 0.83 HSD17B10 (0.67) PARP1TSHRHPGDHSD17B10CYP1A2
SCHEMBL29378080 0.83 HSD17B10 (0.67) PARP1TSHRHPGDHSD17B10CYP1A2
SCHEMBL18807057 0.83 PARP1 (0.57) PARP1TSHRHPGDHSD17B10CYP1A2
Nitromide SCHEMBL7846914 0.83 TSHR (0.63) PARP1TSHRCYP1A2MEN1KMT2A
SCHEMBL659462 0.82 HSD17B10 (0.70) TSHRHPGDALOX15HSD17B10CYP1A2
SCHEMBL571165 0.82 MEN1 (0.51) TSHRHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL29664414 0.82 HSD17B10 (0.70) TSHRHPGDALOX15HSD17B10CYP1A2
SCHEMBL3722735 0.80 ERN1 (0.51) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2608787-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-07-03 EP claimed
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-06-13 US claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
EP-2488491-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
WO-2012025877-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-03-01 WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO 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-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO 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 (2 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-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG PARP1 3297/4885TSHR 660/4885HPGD 1572/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 PARP1 4453/4885TSHR 186/4885HPGD 1064/4885

“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.