SCHEMBL962501

SCHEMBL962501

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
PLA2G4A P47712 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PHGDH O43175 7/20 0.35
RXFP1 Q9HBX9 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
KMO O15229 1/20 0.34

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
SCHEMBL962500 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL962582 0.92 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL962581 0.92 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL963497 0.91 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL963495 0.91 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL962255 0.89 ALDH1A1 (0.48) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL962254 0.89 ALDH1A1 (0.48) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL962979 0.87 ALDH1A1 (0.46) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL962977 0.87 ALDH1A1 (0.46) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL966081 0.87 CCNC (0.42) L3MBTL1ALDH1A1SMN1; SMN2MAPTNR2F2

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 L3MBTL1 2943/4885ALDH1A1 421/4885GAA 76/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG L3MBTL1 3858/4885ALDH1A1 821/4885GAA 1120/4885

“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.