SCHEMBL209244

SCHEMBL209244

Nc1ncc(Br)c(N2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MGMT P16455 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL2731281 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL209448 0.83 POLB (0.52) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL209785 0.82 AURKA (0.47) ALDH1A1KDM4EPOLBGFERCYP1A2
SCHEMBL208861 0.81 AURKA (0.45) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL207969 0.81 AURKA (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL208690 0.80 AURKA (0.34) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL210615 0.80 KDM4E (0.44) ALDH1A1KDM4EMGMTL3MBTL1MAPT
SCHEMBL209446 0.80 MEN1 (0.48) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL208825 0.80 MAPT (0.45) ALDH1A1KDM4EKMT2APOLBLMNA
SCHEMBL208800 0.80 AURKA (0.43) ALDH1A1KMT2AMEN1POLBCYP1A2

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 ALDH1A1 3015/4885KDM4E 587/4885NPSR1 2356/4885

“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.