SCHEMBL580023

SCHEMBL580023

Cc1cc(C)c(C(N)=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PARP1 P09874 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL347578 0.86 LMNA (0.50) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL17831137 0.84 POLB (0.44) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL4639714 0.84 POLB (0.53) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL30577290 0.84 LMNA (0.43) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL28401117 0.83 KDM4E (0.60) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL3631470 0.83 KDM4E (0.46) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL28957162 0.82 KDM4E (0.41) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL1397262 0.82 POLB (0.50) POLBLMNAMAPTPRSS1PRSS2
SCHEMBL7530230 0.82 CYP3A4 (0.56) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL4924102 0.80 KDM4E (0.42) POLBLMNAMEN1KMT2AKDM4E

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 155 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-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP claimed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US claimed
EP-2417125-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-15 EP claimed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004000806-A1 AMIDES OF CYCLIC AMINO ACIDS USED AS PDE 4 INHIBITORS ELBION AG (DE) 2003-12-31 WO claimed
JP-2003528802-A 2003-09-30 JP claimed
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives NEUROGEN CORPORATION 2002-02-28 US claimed
EP-1165517-A1 N-BENZIMIDAZOLYLMETHYL- AND N-INDOLYLMETHYL-BENZAMIDES AND THEIR USE AS CRF MODULATORS NEUROGEN CORPORATION (US) 2002-01-02 EP claimed
US-6281237-B1 MODULATORS OF CRF RECEPTORS AND ARE THEREFORE USEFUL FOR TREATING AFFECTIVE DISORDERS, ANXIETY, DEPRESSION, EATING DISORDERS, AND STRESS DISORDERS NEUROGEN CORPORATION 2001-08-28 US claimed
WO-2000059888-A1 N-BENZIMIDAZOLYLMETHYL- AND N-INDOLYLMETHYL-BENZAMIDES AND THEIR USE AS CRF MODULATORS NEUROGEN CORPORATION (US) 2000-10-12 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-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives CRHR1, CRHR2, HTR2C POLB 4486/4885LMNA 1333/4885MEN1 3967/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 POLB 637/4885LMNA 3376/4885MEN1 4132/4885

“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.