SCHEMBL961910

SCHEMBL961910

Cc1nn(C)c(-c2csc3ccccc23)c1C=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PTGER1 P34995 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL961908 1.00 ALDH1A1 (0.48) ALDH1A1GAAMAPTL3MBTL1NPC1
SCHEMBL962957 0.83 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL963941 0.80 ALDH1A1 (0.51) ALDH1A1GAAMAPTL3MBTL1NPC1
SCHEMBL963943 0.80 ALDH1A1 (0.51) ALDH1A1GAAMAPTL3MBTL1NPC1
SCHEMBL964204 0.79 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL964202 0.79 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL966984 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPTL3MBTL1NPC1
SCHEMBL966986 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPTL3MBTL1NPC1
SCHEMBL27772666 0.73 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL963861 0.71 ALDH1A1 (0.51) ALDH1A1GAAMAPTL3MBTL1NPC1

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 76/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885MAPT 4720/4885

“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.