SCHEMBL966514

SCHEMBL966514

COc1ccc2ccn(-c3c(C=CC(=O)O)c(C)nn3C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DYRK1A Q13627 1/20 0.39
ROCK1 Q13464 1/20 0.39
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FABP4 P15090 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL966513 1.00 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL961757 0.93 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL961756 0.93 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL964065 0.90 PIM3 (0.43) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL964067 0.90 PIM3 (0.43) ALDH1A1GAAL3MBTL1SMN1; SMN2NPC1
SCHEMBL966251 0.89 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1POLBSMN1; SMN2
SCHEMBL966253 0.89 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1POLBSMN1; SMN2
SCHEMBL965631 0.88 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL965630 0.88 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL963541 0.88 CYP1A2 (0.43) ALDH1A1HTR2AHTR2CROCK1MTNR1A

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.