SCHEMBL962694

SCHEMBL962694

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PLA2G4A P47712 1/20 0.40
ALB P02768 1/20 0.39
CDC7 O00311 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ENPP3 O14638 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
CASP3 P42574 1/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
CDK2 P24941 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
SCHEMBL962692 1.00 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1PLA2G4AALB
SCHEMBL965361 0.88 CCNC (0.41) ALDH1A1GAAALBCDC7FFAR4
SCHEMBL5127599 0.87 CDC7 (0.35) ALBCDC7FFAR4ENPP3IRAK4
SCHEMBL5127585 0.87 CDC7 (0.35) ALBCDC7FFAR4ENPP3IRAK4
SCHEMBL962255 0.86 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962254 0.86 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL5127593 0.86 CDC7 (0.37) ALDH1A1ALBCDC7FFAR4SMN1; SMN2
SCHEMBL963644 0.85 CDC7 (0.43) ALBCDC7FFAR4ENPP3IRAK4
SCHEMBL962500 0.84 L3MBTL1 (0.50) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; SMN2
SCHEMBL962979 0.84 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1PLA2G4ASMN1; 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 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 ALDH1A1 421/4885GAA 76/4885L3MBTL1 2943/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885L3MBTL1 3858/4885

“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.