SCHEMBL963133

SCHEMBL963133

Cc1nn(C)c(-n2cc(Cl)c3cccnc32)c1C=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 3/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
RORC P51449 3/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RECQL P46063 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TNKS O95271 1/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL963132 1.00 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAAELANESMN1; SMN2
SCHEMBL964336 0.89 ALDH1A1 (0.46) L3MBTL1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL964338 0.89 ALDH1A1 (0.46) L3MBTL1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL962822 0.87 ELANE (0.37) L3MBTL1ALDH1A1ELANESMN1; SMN2RAB9A
SCHEMBL5126136 0.86 ELANE (0.36) L3MBTL1ALDH1A1ELANESMN1; SMN2RAB9A
SCHEMBL5126154 0.86 ELANE (0.36) L3MBTL1ALDH1A1ELANESMN1; SMN2RAB9A
SCHEMBL5126147 0.86 ELANE (0.36) L3MBTL1ALDH1A1GAAELANESMN1; SMN2
SCHEMBL963252 0.85 ELANE (0.39) L3MBTL1ELANESMN1; SMN2HTTRORC
SCHEMBL965889 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL965890 0.84 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAASMN1; SMN2RAB9A

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.