SCHEMBL1031424

SCHEMBL1031424

Cc1cn(C)c(C(=O)N(C)CCc2ccccn2)c1-c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 1/20 0.40
PTGFR P43088 1/20 0.39
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL1028305 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTCASP1
SCHEMBL1031580 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTCASP1
SCHEMBL1474391 0.74 RAB9A (0.56) ALDH1A1KDM4EGAAMAPTCASP1
SCHEMBL1030274 0.73 POLB (0.46) ALDH1A1KDM4EGAAMAPTCASP1
SCHEMBL928830 0.71 ADORA2A (0.63) ALDH1A1KDM4EGAAMAPTCASP1
SCHEMBL1032268 0.70 USP2 (0.45) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL27249467 0.68 KMT2A (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL31298063 0.68 MEN1 (0.67) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL12835154 0.68 MEN1 (0.67) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL15190009 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTCASP1

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 ALDH1A1 2168/4885KDM4E 829/4885GAA 4161/4885

“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.