SCHEMBL207969

SCHEMBL207969

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
RPS6KB1 P23443 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38

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
SCHEMBL210615 0.90 KDM4E (0.44) MAPTALDH1A1KDM4EL3MBTL1NPBWR1
SCHEMBL2731281 0.90 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL209448 0.89 POLB (0.52) AURKAMEN1KMT2AMAPTALDH1A1
SCHEMBL209669 0.89 MEN1 (0.45) AURKAMEN1KMT2AMAPTALDH1A1
SCHEMBL208834 0.87 OPRM1 (0.48) MAPTALDH1A1KDM4EL3MBTL1NPBWR1
SCHEMBL208800 0.86 AURKA (0.43) AURKAMEN1KMT2AMAPTALDH1A1
SCHEMBL208484 0.85 PPARD (0.43) MAPTALDH1A1POLBL3MBTL1NPBWR1
SCHEMBL209785 0.84 AURKA (0.47) AURKAMAPTALDH1A1POLBKDM4E
SCHEMBL209309 0.84 TRPV6 (0.41) AURKAKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4757119 0.83 POLB (0.38) AURKAMEN1KMT2AMAPTALDH1A1

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 12 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
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 AURKA 3/4885MEN1 471/4885KMT2A 384/4885

“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.