SCHEMBL963124

SCHEMBL963124

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.39
ENPP1 P22413 3/20 0.39
HSD17B10 Q99714 1/20 0.36
FGFR1 P11362 2/20 0.34
FGFR4 P22455 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL962683 0.88 HTT (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL966311 0.86 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL963547 0.86 SMN1; SMN2 (0.41) HSD17B10FGFR1FGFR4SMN1; SMN2CYP1A2
SCHEMBL965034 0.85 ALDH1A1 (0.44) ENPP3ENPP1HSD17B10FGFR1FGFR4
SCHEMBL965036 0.85 ALDH1A1 (0.44) ENPP3ENPP1HSD17B10FGFR1FGFR4
SCHEMBL961987 0.83 POLB (0.34) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL962237 0.82 HTT (0.33) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL963449 0.81 ENPP3 (0.37) ENPP3ENPP1HSD17B10FGFR1FGFR4
SCHEMBL963447 0.81 ENPP3 (0.37) ENPP3ENPP1HSD17B10FGFR1FGFR4
SCHEMBL963446 0.81 CCNC (0.37) ENPP3ENPP1FGFR1FGFR4SMN1; SMN2

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 ENPP3 1924/4885ENPP1 1528/4885HSD17B10 125/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ENPP3 2208/4885ENPP1 1752/4885HSD17B10 189/4885

“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.