SCHEMBL963049

SCHEMBL963049

Cc1nn(C)c(-c2cccc3ccccc23)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2C P28335 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HTR2A P28223 1/20 0.40
HPGD P15428 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DHFR P00374 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4554067 0.87 HTR2C (0.37) ERN1HTR2CKDM4EHTR2AHPGD
SCHEMBL963943 0.82 ALDH1A1 (0.51) CYP2C9CYP2C19HTR2CKDM4EHPGD
SCHEMBL963941 0.82 ALDH1A1 (0.51) CYP2C9CYP2C19HTR2CKDM4EHPGD
SCHEMBL964359 0.80 ERN1 (0.43) ERN1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL964621 0.78 ALDH1A1 (0.48) CYP1A2CYP2C9KDM4EHPGDMAPT
SCHEMBL964719 0.77 SIRT2 (0.46) CYP1A2CYP2C9CYP2C19HPGDMAPT
SCHEMBL962957 0.77 ALDH1A1 (0.47) ERN1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL4825652 0.75 HIF1A (0.46) ERN1HTR2CKDM4EHTR2AHPGD
SCHEMBL19209467 0.75 ALDH1A1 (0.49) ERN1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL964466 0.74 TDP2 (0.45) ERN1CYP1A2CYP2C9CYP2C19KDM4E

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 5 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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN 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 ERN1 4075/4885CYP1A2 537/4885CYP2C9 734/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ERN1 3631/4885CYP1A2 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.