SCHEMBL963702

SCHEMBL963702

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 5/20 0.37
MAPK9 P45984 4/20 0.37
MAPK10 P53779 3/20 0.36
MCHR1 Q99705 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PIM1 P11309 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ROCK2 O75116 1/20 0.33
PIM3 Q86V86 1/20 0.33
MAP4K4 O95819 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
SCHEMBL965606 0.90 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4553471 0.88 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4554759 0.88 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL961972 0.87 ROCK1 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL962714 0.85 ALDH1A1 (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL964782 0.84 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL962500 0.84 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL964785 0.84 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL962501 0.84 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL967587 0.83 ROCK1 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN 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 SMN1; SMN2 3745/4885CYP1A2 537/4885CYP2C9 734/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG SMN1; SMN2 4710/4885CYP1A2 665/4885CYP2C9 1086/4885

“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.