SCHEMBL1029080

SCHEMBL1029080

COc1ccc(Cn2cc(C)c(-c3ccco3)c2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 5/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
TSHR P16473 6/20 0.44
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 1/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL1027735 0.86 ALDH1A1 (0.53) MAPTPOLBALDH1A1KMT2AHTT
SCHEMBL1032158 0.80 ALDH1A1 (0.55) POLBALDH1A1KMT2AHTTMEN1
SCHEMBL2637910 0.78 TP53 (0.44) MAPTPOLBALDH1A1KMT2ATSHR
SCHEMBL1030974 0.77 ALDH1A1 (0.43) MAPTPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1749331 0.77 MEN1 (0.46) MAPTPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1031849 0.74 ALDH1A1 (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1032039 0.74 KDM4E (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1031867 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1030195 0.74 KMT2A (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1030813 0.73 TSHR (0.46) POLBSMN1; SMN2ALDH1A1KMT2AMEN1

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 MAPT 1404/4885POLB 4076/4885SMN1; SMN2 2916/4885

“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.