SCHEMBL965890

SCHEMBL965890

Cc1nn(C)c(-n2cc(Cl)c3ccccc32)c1C=CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 5/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 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
SCHEMBL965889 1.00 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL964005 0.86 RAB9A (0.39) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL964286 0.86 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL964287 0.86 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL963132 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL963133 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL964008 0.81 ALDH1A1 (0.34) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL964006 0.81 ALDH1A1 (0.34) L3MBTL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL963040 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAARAB9ANPC1
SCHEMBL963041 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAARAB9ANPC1

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.