SCHEMBL964576

SCHEMBL964576

COc1ccc2ccn(-c3c(/C=C/S(N)(=O)=O)c(C)nn3C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
ROCK1 Q13464 2/20 0.42
HTR6 P50406 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
FABP4 P15090 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL964712 1.00 CA2 (0.46) CA2ROCK1HTR6MEN1KMT2A
SCHEMBL4554315 0.85 ROCK1 (0.41) CA2ROCK1HTR6MEN1KMT2A
SCHEMBL4553105 0.85 ROCK1 (0.41) CA2ROCK1HTR6MEN1KMT2A
SCHEMBL968529 0.85 CDC7 (0.38) ROCK1HTR6MAPT
SCHEMBL968527 0.85 CDC7 (0.38) ROCK1HTR6MAPT
SCHEMBL967700 0.85 ROCK1 (0.44) CA2ROCK1HTR6MEN1KMT2A
SCHEMBL963139 0.83 CDC7 (0.42)
SCHEMBL966514 0.83 ALDH1A1 (0.44) CA2ROCK1MEN1KMT2AMAPT
SCHEMBL966513 0.83 ALDH1A1 (0.44) CA2ROCK1MEN1KMT2AMAPT
SCHEMBL963134 0.83 CDC7 (0.42)

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CA2 466/4885ROCK1 2974/4885HTR6 4155/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CA2 3200/4885ROCK1 3736/4885HTR6 3498/4885

“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.