SCHEMBL968298

SCHEMBL968298

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C=CC#N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
MAPK8 P45983 3/20 0.32
MAPK9 P45984 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK10 P53779 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
XPO1 O14980 1/20 0.30

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
SCHEMBL968297 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL4553471 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL4554759 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL963702 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962500 0.81 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962501 0.81 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL964782 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL964785 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962581 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962582 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNR2F2HTTMAPK8

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 SMN1; SMN2 3745/4885MAPT 4343/4885NR2F2 2010/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG SMN1; SMN2 4710/4885MAPT 4720/4885NR2F2 201/4885

“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.