SCHEMBL208484

SCHEMBL208484

Nc1ncc(Br)c(N2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
DHFR P00374 2/20 0.35
RPS6KB1 P23443 1/20 0.34
TLR7 Q9NYK1 3/20 0.34
RET P07949 1/20 0.34
POLB P06746 1/20 0.34
MGLL Q99685 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
SCHEMBL14495802 0.88 PPARD (0.45) PPARDPPARANR1H2NR1H3L3MBTL1
SCHEMBL4754624 0.88 PPARD (0.43) PPARDPPARANR1H2NR1H3L3MBTL1
SCHEMBL210615 0.86 KDM4E (0.44) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL207969 0.85 AURKA (0.46) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL209309 0.83 TRPV6 (0.41) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL2731281 0.83 ALDH1A1 (0.52) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL209448 0.83 POLB (0.52) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL208834 0.82 OPRM1 (0.48) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL209785 0.82 AURKA (0.47) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1
SCHEMBL208800 0.81 AURKA (0.43) L3MBTL1ALDH1A1MAPTNPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO 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 (1 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA PPARD 4781/4885PPARA 4879/4885NR1H2 3606/4885

“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.