SCHEMBL2719645

SCHEMBL2719645

Cc1ccc(C(=O)c2cccn2C/C=C/c2ccc(CBr)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.58
PPARA Q07869 4/20 0.58
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SRD5A2 P31213 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL2719648 1.00 PPARG (0.58) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL2719672 0.90 PPARG (0.59) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL2719676 0.90 PPARG (0.59) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL2717135 0.88 PPARG (0.66) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL2717139 0.88 PPARG (0.66) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL4680580 0.88 PPARG (0.63) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL4680583 0.88 PPARG (0.63) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL2720808 0.87 PPARG (0.64) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL2720809 0.87 PPARG (0.64) PPARGPPARAALDH1A1MAPTRECQL
SCHEMBL14143449 0.86 PPARG (0.60) PPARGPPARAALDH1A1MAPTRECQL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885ALDH1A1 552/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885ALDH1A1 552/4885

“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.