SCHEMBL1031509

SCHEMBL1031509

Cc1ccc(-c2c(C)cn(Cc3ccc(F)cc3)c2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.51
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
MAPK14 Q16539 1/20 0.45
PPARG P37231 2/20 0.45
GLS O94925 2/20 0.44
TP53 P04637 1/20 0.43
MMP13 P45452 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CHRM3 P20309 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
KIT P10721 1/20 0.41
PTGER1 P34995 1/20 0.41
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.41
KLKB1 P03952 1/20 0.41

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
SCHEMBL1032399 0.87 WDR5 (0.46) WDR5ROCK2ROCK1MAPK14PPARG
SCHEMBL1029323 0.79 MAPK14 (0.57) WDR5ROCK2ROCK1MAPK14PPARG
SCHEMBL1048091 0.78 ALDH1A1 (0.53) ROCK2ROCK1TP53MMP13ALDH1A1
SCHEMBL1033551 0.78 EPHX2 (0.46) PPARGKLKB1
SCHEMBL1032465 0.77 TP53 (0.42) WDR5TP53ALDH1A1KLKB1
SCHEMBL1030364 0.77 MCHR1 (0.47) TP53ALDH1A1
SCHEMBL1031863 0.76 SMN1; SMN2 (0.50) TP53ALDH1A1
SCHEMBL1027523 0.75 PTGER4 (0.49) WDR5PPARGMMP13PPARDPPARA
SCHEMBL1032507 0.74 PPARG (0.49) ROCK2ROCK1PPARGALDH1A1
SCHEMBL2637904 0.73 CNR1 (0.44) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US 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 disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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 (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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 WDR5 1247/4885ROCK2 3764/4885ROCK1 3002/4885

“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.