SCHEMBL963547

SCHEMBL963547

Cc1nn(C)c(-n2ccc3cc(Cl)cnc32)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
IRAK4 Q9NWZ3 6/20 0.33
MAPT P10636 2/20 0.32
NR2F2 P24468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 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
SCHEMBL4555113 0.89 MEN1 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL962683 0.88 HTT (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL963124 0.86 ENPP3 (0.39) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL966311 0.86 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL963160 0.85 HTT (0.32) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL967192 0.85 L3MBTL1 (0.48) SMN1; SMN2HTTHPGDHSD17B10LMNA
SCHEMBL967190 0.85 L3MBTL1 (0.48) SMN1; SMN2HTTHPGDHSD17B10LMNA
SCHEMBL963163 0.85 HTT (0.32) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL962809 0.84 ADAMTS5 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL966734 0.83 IRAK4 (0.35) HTTHPGDHSD17B10LMNAMEN1

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 3745/4885CYP1A2 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.