SCHEMBL2200865

SCHEMBL2200865

CCOC(=O)c1c(C(=O)N2Cc3ccccc3C2=O)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.42
ELANE P08246 2/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC5A1 P13866 2/20 0.36
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
ADORA1 P30542 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2200564 0.80 SCN9A (0.44) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2199932 0.79 PDE4D (0.49) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2199422 0.76 SCN9A (0.45) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2200842 0.74 NPSR1 (0.43) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2199120 0.73 NPY5R (0.41) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2201758 0.73 SCN9A (0.42) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2200720 0.73 ALDH1A1 (0.49) SCN9AELANEALDH1A1NPSR1SLC5A1
SCHEMBL2201157 0.73 KMT2A (0.43) ALDH1A1NPSR1MEN1KMT2ATHRB
SCHEMBL2198847 0.71 NOTUM (0.47) SCN9ANPSR1KMT2ASLC5A1RAB9A
SCHEMBL2202684 0.70 KMT2A (0.44) SCN9AKMT2ASLC5A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 SCN9A 3692/4885ELANE 791/4885ALDH1A1 1476/4885

“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.