SCHEMBL1749309

SCHEMBL1749309

Cc1c(-c2ccccc2)c(C(=O)O)cn1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
FABP4 P15090 2/20 0.43
MYC P01106 3/20 0.42
NOTUM Q6P988 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HNF4A P41235 1/20 0.41
DHODH Q02127 3/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.40
FABP3 P05413 1/20 0.40
AKR1C3 P42330 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
SCHEMBL3494668 0.82 MAOA (0.41) POLBGRIA2GRIA4FABP4ALDH1A1
Hydrochloric Acid SCHEMBL29812500 0.78 KDM4E (0.41) POLBKDM4EBRD4
SCHEMBL23147433 0.74 NOTUM (0.42) GRIA2GRIA4NOTUMALDH1A1DHODH
SCHEMBL1663680 0.72 NOTUM (0.41) POLBMYCNOTUMALDH1A1KDM4E
SCHEMBL1081579 0.71 GRIA4 (0.47) GRIA2GRIA4FABP4MYCALDH1A1
SCHEMBL10463643 0.71 LMNA (0.49) POLBNOTUMALDH1A1KDM4EHPGD
SCHEMBL11364000 0.71 GFER (0.49) POLBFABP4ALDH1A1HNF4AKDM4E
SCHEMBL7928003 0.71 NOTUM (0.40) POLBMYCNOTUMALDH1A1KDM4E
SCHEMBL6772372 0.69 ALDH1A1 (0.50) POLBFABP4MYCALDH1A1HNF4A
SCHEMBL27458636 0.69 TTR (0.59) FABP4NOTUMALDH1A1HNF4ADHODH

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
CN-101500994-B 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL GMBH 2012-12-12 CN disclosed
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
CN-101500994-A 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2009-08-05 CN 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 POLB 4076/4885GRIA2 246/4885GRIA4 197/4885

“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.