SCHEMBL1749331

SCHEMBL1749331

Cc1cn(Cc2ccccc2)c(C(=O)N2CCN(C(=O)O)CC2)c1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 10/20 0.44
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 5/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1030195 0.88 KMT2A (0.44) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL1031511 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1CHRM2CYP3A4
SCHEMBL2637756 0.84 HSD17B10 (0.48) MEN1KMT2AALDH1A1CYP3A4TP53
SCHEMBL1030813 0.83 TSHR (0.46) MEN1KMT2AALDH1A1CYP2D6TP53
SCHEMBL1027735 0.82 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL1031867 0.81 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL1030163 0.79 FAAH (0.49) ALDH1A1KDM4E
SCHEMBL1030235 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL1031499 0.79 SMN1; SMN2 (0.41) KMT2AALDH1A1CYP2D6LMNATSHR
SCHEMBL1028757 0.79 KLK7 (0.41) KMT2AALDH1A1TP53LMNAKDM4E

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 2 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 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 MEN1 4776/4885KMT2A 1507/4885ALDH1A1 2168/4885

“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.