SCHEMBL964274

SCHEMBL964274

CCCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1cc(Cl)c2cccnc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.32
CNR1 P21554 11/20 0.32
CNR2 P34972 11/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
CFTR P13569 1/20 0.31
HTR6 P50406 1/20 0.31
PPARG P37231 1/20 0.30
MAPT P10636 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
CASP6 P55212 1/20 0.30

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
SCHEMBL964275 1.00 ELANE (0.32) ELANECNR1CNR2KDM4EALDH1A1
SCHEMBL963301 0.92 TP53 (0.35) ELANECNR1CNR2KDM4EALDH1A1
SCHEMBL963300 0.92 TP53 (0.35) ELANECNR1CNR2KDM4EALDH1A1
SCHEMBL965586 0.88 PPARG (0.42) CNR1CNR2PPARG
SCHEMBL965588 0.88 PPARG (0.42) CNR1CNR2PPARG
SCHEMBL964902 0.88 HDAC3 (0.35) CNR1CNR2ALDH1A1PPARGMAPT
SCHEMBL964903 0.88 HDAC3 (0.35) CNR1CNR2ALDH1A1PPARGMAPT
SCHEMBL27772603 0.87 PPARG (0.33) ELANECNR1CNR2PPARG
SCHEMBL965276 0.87 CFD (0.33) ELANEALDH1A1HPGDHTR6MAPT
SCHEMBL965278 0.87 CFD (0.33) ELANEALDH1A1HPGDHTR6MAPT

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 ELANE 2515/4885CNR1 1414/4885CNR2 2360/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ELANE 3595/4885CNR1 153/4885CNR2 290/4885

“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.