SCHEMBL965036

SCHEMBL965036

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ENPP3 O14638 4/20 0.39
ENPP1 P22413 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FGFR1 P11362 2/20 0.35
FGFR4 P22455 2/20 0.35
MAPT P10636 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PLA2G4A P47712 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL965034 1.00 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1ENPP3ENPP1
SCHEMBL965043 0.89 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1ENPP3ENPP1
SCHEMBL965044 0.89 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1ENPP3ENPP1
SCHEMBL967192 0.88 L3MBTL1 (0.48) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL967190 0.88 L3MBTL1 (0.48) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL966850 0.88 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL966851 0.88 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL963446 0.87 CCNC (0.37) ALDH1A1ENPP3ENPP1SMN1; SMN2NPC1
SCHEMBL965690 0.85 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL965692 0.85 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1

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.