SCHEMBL964456

SCHEMBL964456

Cc1nn(C)c(-n2ccc3ccc(C(F)(F)F)cc32)c1/C=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE5A O76074 1/20 0.36
PDE9A O76083 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PLA2G4A P47712 1/20 0.35

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
SCHEMBL964457 1.00 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1CDC7CDK2
SCHEMBL963735 0.86 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1CDC7CDK2
SCHEMBL963737 0.86 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1CDC7CDK2
SCHEMBL4553800 0.85 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1CDC7CDK2
SCHEMBL4553799 0.85 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1CDC7CDK2
SCHEMBL964913 0.85 CDC7 (0.43) ALDH1A1CDC7CDK2LMNAKMT2A
SCHEMBL963139 0.84 CDC7 (0.42) CDC7CDK2MCL1
SCHEMBL963134 0.84 CDC7 (0.42) CDC7CDK2MCL1
SCHEMBL963495 0.84 L3MBTL1 (0.50) ALDH1A1GAAL3MBTL1CDC7CDK2
SCHEMBL963497 0.84 L3MBTL1 (0.50) ALDH1A1GAAL3MBTL1CDC7CDK2

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.