SCHEMBL965276

SCHEMBL965276

Cc1nn(C)c(-n2cc(Cl)c3cccnc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.33
HTR5A P47898 1/20 0.33
CRHR1 P34998 1/20 0.32
ELANE P08246 1/20 0.32
HPGD P15428 1/20 0.32
SMO Q99835 1/20 0.32
HTR6 P50406 2/20 0.31
ALDH1A1 P00352 4/20 0.31
HTR3A P46098 2/20 0.31
PKM P14618 1/20 0.31
SSTR4 P31391 1/20 0.31
P2RX7 Q99572 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PANK1 Q8TE04 1/20 0.30
PANK3 Q9H999 1/20 0.30
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 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
SCHEMBL965278 1.00 CFD (0.33) CFDHTR5ACRHR1ELANEHPGD
SCHEMBL966262 0.92 CFD (0.33) CFDHPGDALDH1A1HTR3APKM
SCHEMBL966263 0.92 CFD (0.33) CFDHPGDALDH1A1HTR3APKM
SCHEMBL27772668 0.87 CFD (0.31) CFDCRHR1
SCHEMBL964275 0.87 ELANE (0.32) ELANEHPGDHTR6ALDH1A1MAPT
SCHEMBL964274 0.87 ELANE (0.32) ELANEHPGDHTR6ALDH1A1MAPT
SCHEMBL5126136 0.85 ELANE (0.36) ELANEHPGDHTR6ALDH1A1SSTR4
SCHEMBL5126154 0.85 ELANE (0.36) ELANEHPGDHTR6ALDH1A1SSTR4
SCHEMBL962095 0.85 HDAC3 (0.36) HPGDALDH1A1MAPTPOLBRECQL
SCHEMBL962093 0.85 HDAC3 (0.36) HPGDALDH1A1MAPTPOLBRECQL

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 CFD 4243/4885HTR5A 4030/4885CRHR1 1133/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CFD 4814/4885HTR5A 2045/4885CRHR1 780/4885

“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.