SCHEMBL965897

SCHEMBL965897

Cc1nn(C)c(-n2nc(C)c3ccccc32)c1C=CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL965896 1.00 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL963041 0.90 L3MBTL1 (0.52) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL963040 0.90 L3MBTL1 (0.52) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL964447 0.85 NPC1 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4554402 0.82 GLS (0.37) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL963496 0.82 HTT (0.47) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL962885 0.81 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL962886 0.81 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL964450 0.79 NPC1 (0.36) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL965889 0.79 L3MBTL1 (0.51) 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.