SCHEMBL1032676

SCHEMBL1032676

COc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2C)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
RECQL P46063 3/20 0.49
TP53 P04637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
APEX1 P27695 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1032230 0.86 ADORA3 (0.55) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL1029657 0.85 ALDH1A1 (0.48) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL1030582 0.79 MEN1 (0.47) SMN1; SMN2MAPTLMNAL3MBTL1KDM4E
SCHEMBL1031580 0.75 ALDH1A1 (0.55) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL1031458 0.74 LIPG (0.45) SMN1; SMN2ALDH1A1RECQLTP53HSD17B10
SCHEMBL1031640 0.74 ALDH1A1 (0.52) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL1031918 0.74 ALDH1A1 (0.47) ADORA3SMN1; SMN2ALDH1A1TP53HSD17B10
SCHEMBL1033134 0.72 P2RX7 (0.43) SMN1; SMN2
SCHEMBL1031541 0.72 RAB9A (0.53) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL1032179 0.71 ADORA3 (0.49) ADORA3ADORA2AADORA1SMN1; SMN2ALDH1A1

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 ADORA3 349/4885ADORA2A 218/4885ADORA1 171/4885

“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.