SCHEMBL965371

SCHEMBL965371

COc1cc2c(ccn2-c2c(C=O)c(C)nn2C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PHGDH O43175 3/20 0.36
PKM P14618 1/20 0.34
SHMT2 P34897 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PGK1 P00558 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
ALDH3A1 P30838 1/20 0.32
ACLY P53396 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL962742 0.86 PTGS2 (0.35) SMN1; SMN2PHGDHPKMSHMT2GAA
SCHEMBL962740 0.86 PTGS2 (0.35) SMN1; SMN2PHGDHPKMSHMT2GAA
SCHEMBL967587 0.81 ROCK1 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL967700 0.81 ROCK1 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL963702 0.80 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19PHGDH
SCHEMBL965606 0.80 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL965187 0.79 HTR2A (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL964048 0.79 PHGDH (0.36) SMN1; SMN2PHGDHPKMSHMT2GAA
SCHEMBL961972 0.77 ROCK1 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL962741 0.76 PHGDH (0.37) PHGDHPKMSHMT2PGK1FPR2

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 SMN1; SMN2 3745/4885CYP1A2 537/4885CYP2C9 734/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG SMN1; SMN2 4710/4885CYP1A2 665/4885CYP2C9 1086/4885

“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.