SCHEMBL1031652

SCHEMBL1031652

Cc1cn(Cc2ccc(F)cc2)c(C(=O)N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)c1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2A P28223 1/20 0.37
POLB P06746 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
SCHEMBL1032301 0.87 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL1032039 0.82 KDM4E (0.49) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL1030974 0.82 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL1030163 0.81 FAAH (0.49) ALDH1A1KDM4ENPC1
SCHEMBL1026967 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2HPGDHSD17B10
SCHEMBL1031060 0.80 CYP2C9 (0.43) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL1030973 0.79 MEN1 (0.47) ALDH1A1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL1027036 0.78 KMT2A (0.41) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL1749331 0.78 MEN1 (0.46) ALDH1A1KMT2ASMN1; SMN2HPGDHSD17B10
SCHEMBL1749648 0.77 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP 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
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
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 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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
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 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 2168/4885CYP2C9 3069/4885CYP2C19 2603/4885

“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.