SCHEMBL4500053

SCHEMBL4500053

CCc1nn(-c2cccc(Br)c2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RPA1 P27694 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
SCHEMBL6319603 0.84 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2571568 0.77 NPC1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL4486286 0.76 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL14905654 0.75 GABRP (0.36) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL27527910 0.73 MEN1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28191630 0.73 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL4497357 0.73 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL718881 0.72 KMT2A (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL28192158 0.72 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL26659214 0.72 ALKBH1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SMN1; SMN2 836/4885MEN1 3928/4885KMT2A 3453/4885

“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.