SCHEMBL962714

SCHEMBL962714

Cc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLK2 Q9NYY3 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
PLK1 P53350 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL966593 0.90 CDC7 (0.40) ALDH1A1KDM4ECYP2A6SMN1; SMN2CYP1A2
SCHEMBL4553594 0.88 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL961972 0.87 ROCK1 (0.41) CYP2A6SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL965187 0.86 HTR2A (0.35) HPGDCYP2A6SMN1; SMN2CYP1A2CYP2C9
SCHEMBL963702 0.85 SMN1; SMN2 (0.45) CYP2A6SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL962979 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL966013 0.84 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL966011 0.84 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL962977 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL967587 0.83 ROCK1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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 ALDH1A1 421/4885KDM4E 1314/4885HPGD 598/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885KDM4E 1776/4885HPGD 378/4885

“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.