SCHEMBL963891

SCHEMBL963891

Cc1nn(C)c(-n2nc(Cl)c3ccccc32)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
HPGD P15428 3/20 0.45
CYP2C9 P11712 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 4/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 3/20 0.37
ATM Q13315 1/20 0.37
NOD2 Q9HC29 1/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IMPDH2 P12268 1/20 0.34

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
SCHEMBL963496 0.88 HTT (0.47) CYP1A2HPGDCYP2C9SMN1; SMN2HTT
SCHEMBL963041 0.83 L3MBTL1 (0.52) CYP1A2HPGDCYP2C9SMN1; SMN2HTT
SCHEMBL963040 0.83 L3MBTL1 (0.52) CYP1A2HPGDCYP2C9SMN1; SMN2HTT
SCHEMBL4554402 0.75 GLS (0.37) CYP1A2HPGDCYP2C9SMN1; SMN2HTT
SCHEMBL963508 0.75 HTT (0.42) CYP1A2HPGDCYP2C9SMN1; SMN2HTT
SCHEMBL27793982 0.74 RARG (0.36) HPGDSMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL965424 0.72 PPARG (0.42) SMN1; SMN2LMNAALDH1A1
SCHEMBL965422 0.72 PPARG (0.42) SMN1; SMN2LMNAALDH1A1
SCHEMBL967577 0.72 CYP1A2 (0.42) CYP1A2HPGDCYP2C9SMN1; SMN2HTT
SCHEMBL965896 0.71 ALDH1A1 (0.51) HPGDSMN1; SMN2HTTMAPTL3MBTL1

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 CYP1A2 537/4885HPGD 598/4885CYP2C9 734/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CYP1A2 665/4885HPGD 378/4885CYP2C9 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.