SCHEMBL1030274

SCHEMBL1030274

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.46
L3MBTL1 Q9Y468 8/20 0.46
TDP1 Q9NUW8 5/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
RECQL P46063 4/20 0.39
PKM P14618 4/20 0.39
RAB9A P51151 1/20 0.39
DNMT1 P26358 1/20 0.39
MCL1 Q07820 1/20 0.39
KEAP1 Q14145 1/20 0.39
HSD17B10 Q99714 3/20 0.38
THRB P10828 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1032220 0.83 RAB9A (0.47) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1030275 0.78 L3MBTL1 (0.40) POLBL3MBTL1TDP1CTDSP1MEN1
SCHEMBL2637756 0.78 HSD17B10 (0.48) POLBL3MBTL1TDP1CTDSP1MEN1
SCHEMBL1031744 0.77 NPC1 (0.49) POLBTDP1MEN1KMT2AALDH1A1
SCHEMBL1031516 0.76 LMNA (0.54) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1031918 0.76 ALDH1A1 (0.47) POLBL3MBTL1CTDSP1MEN1KMT2A
SCHEMBL1081579 0.76 GRIA4 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1027475 0.75 NPC1 (0.44) POLBTDP1MEN1KMT2AKDM4E
SCHEMBL1127114 0.75 L3MBTL1 (0.44) POLBL3MBTL1TDP1CTDSP1MEN1
SCHEMBL1749648 0.74 ALDH1A1 (0.43) POLBL3MBTL1TDP1MEN1KMT2A

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 10 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
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 POLB 4076/4885L3MBTL1 4342/4885TDP1 1760/4885

“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.