SCHEMBL4288847

SCHEMBL4288847

O=C(NCc1ccccc1)c1cc[nH]n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.58
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GLA P06280 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
EGFR P00533 1/20 0.49
GAA P10253 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4633158 0.84 LMNA (0.55) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4632986 0.82 ALDH1A1 (0.60) HPGDALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL19207465 0.79 SMN1; SMN2 (0.58) HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL31145858 0.78 KDM4C (0.47) ALDH1A1KMT2ATSHR
SCHEMBL31145863 0.78 KDM4C (0.47) ALDH1A1KMT2ATSHR
SCHEMBL28017511 0.76 MMP13 (0.56) MMP13HPGDALDH1A1GLACYP1A2
SCHEMBL21753196 0.76 HPGD (0.79) MMP13HPGDALDH1A1GLACYP1A2
SCHEMBL20029114 0.76 ACR (0.43) MMP13HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3144624 0.76 CNR1 (0.41) SMN1; SMN2KMT2AGAAHDAC6
SCHEMBL27363106 0.76 HDAC6 (0.35) MMP13SMN1; SMN2KMT2AHDAC2HDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
EP-1494673-A4 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RES TRIANGLE INST (US) 2006-01-18 EP disclosed
EP-1494673-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2005-01-12 EP disclosed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
WO-2003088968-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2003-10-30 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP MMP13 1609/4885HPGD 2563/4885ALDH1A1 694/4885

“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.