SCHEMBL209309

SCHEMBL209309

COc1ccc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.41
MYD88 Q99836 1/20 0.40
AURKA O14965 4/20 0.39
RET P07949 5/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL207969 0.84 AURKA (0.46) AURKAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL208484 0.83 PPARD (0.43) RETMAPTL3MBTL1ALDH1A1NPBWR1
SCHEMBL210615 0.83 KDM4E (0.44) MAPTL3MBTL1ALDH1A1NPBWR1MCHR1
SCHEMBL2731281 0.83 ALDH1A1 (0.52) MAPTKMT2AL3MBTL1ALDH1A1NPBWR1
SCHEMBL209448 0.82 POLB (0.52) AURKAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL209785 0.81 AURKA (0.47) AURKAMAPTL3MBTL1ALDH1A1NPBWR1
SCHEMBL208800 0.81 AURKA (0.43) AURKAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL208834 0.80 OPRM1 (0.48) MAPTL3MBTL1ALDH1A1NPBWR1MCHR1
SCHEMBL4757119 0.80 POLB (0.38) AURKAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL208825 0.79 MAPT (0.45) MAPTKMT2AL3MBTL1ALDH1A1

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
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
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 TRPV6 4269/4885MYD88 4863/4885AURKA 3/4885

“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.