SCHEMBL210615

SCHEMBL210615

Nc1ncc(Br)c(N2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MGMT P16455 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL208834 0.96 OPRM1 (0.48) KDM4EHTTOPRM1OPRK1SIGMAR1
SCHEMBL207969 0.90 AURKA (0.46) KDM4EMAPTALDH1A1NPBWR1MCHR1
SCHEMBL2731281 0.89 ALDH1A1 (0.52) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL209448 0.88 POLB (0.52) KDM4EMAPTALDH1A1NPBWR1MCHR1
SCHEMBL4757730 0.87 DRD2 (0.38) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL208800 0.85 AURKA (0.43) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL209785 0.83 AURKA (0.47) KDM4EMAPTALDH1A1NPBWR1MCHR1
SCHEMBL209309 0.83 TRPV6 (0.41) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL4757119 0.82 POLB (0.38) KDM4EMAPTALDH1A1NPBWR1MCHR1
SCHEMBL208825 0.81 MAPT (0.45) KDM4EHTTMAPTALDH1A1L3MBTL1

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-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
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 KDM4E 587/4885HTT 2611/4885OPRM1 3123/4885

“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.