SCHEMBL962885

SCHEMBL962885

Cc1nn(C)c(-n2ncc3ccccc32)c1/C=C/C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
KMT2A Q03164 1/20 0.38
KMO O15229 1/20 0.38
SLC6A2 P23975 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ESR1 P03372 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PHGDH O43175 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
SCHEMBL962886 1.00 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL4554904 0.83 RAB9A (0.34) ALDH1A1GAARAB9ASMN1; SMN2NPC1
SCHEMBL963508 0.83 HTT (0.42) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL965896 0.81 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL965897 0.81 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL962637 0.80 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL962635 0.80 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL962779 0.79 PPARG (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1PHGDH
SCHEMBL962780 0.79 PPARG (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1PHGDH
SCHEMBL963040 0.78 L3MBTL1 (0.52) ALDH1A1GAAL3MBTL1RAB9ASMN1; 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.