SCHEMBL4489852

SCHEMBL4489852

CCOC(=O)c1cc(-c2cccc(Br)c2)nn1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.46
ELANE P08246 3/20 0.46
CYP19A1 P11511 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL4689595 0.86 MAPT (0.58) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL2203018 0.86 CA12 (0.47) FAAHSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3664984 0.85 SMN1; SMN2 (0.68) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL30130661 0.85 FAAH (0.57) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL30504027 0.82 FAAH (0.54) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL10961325 0.82 FAAH (0.54) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL4692622 0.81 RXFP1 (0.47) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL30982331 0.81 SMN1; SMN2 (0.53) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL17980301 0.81 SMN1; SMN2 (0.53) FAAHSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL4485194 0.80 PHGDH (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT

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 10 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-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 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 (2 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG FAAH 274/4885SMN1; SMN2 3739/4885POLB 1542/4885
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 FAAH 596/4885SMN1; SMN2 836/4885POLB 4672/4885

“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.