SCHEMBL209883

SCHEMBL209883

Nc1ncc(Cl)c(N2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL207839 0.85 KCNA5 (0.44) SIGMAR1HTR1ADRD2HTR2AMEN1
SCHEMBL209669 0.81 MEN1 (0.45) SIGMAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL209541 0.81 DRD2 (0.50) DRD2MEN1KMT2AALDH1A1MAPT
SCHEMBL209615 0.81 MAPT (0.45) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL208548 0.81 POLB (0.53) MEN1KMT2AALDH1A1MAPTNPBWR1
SCHEMBL210676 0.78 AURKA (0.42) DRD2MEN1KMT2AALDH1A1MAPT
SCHEMBL2731281 0.78 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTNPBWR1
SCHEMBL14495694 0.78 HSP90AA1 (0.42) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL16152481 0.78 MAPK10 (0.39) SIGMAR1ALDH1A1MAPT
SCHEMBL208875 0.78 RPS6KB1 (0.38) MEN1KMT2AALDH1A1MAPTL3MBTL1

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
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 SIGMAR1 2301/4885HTR1A 2852/4885DRD2 4229/4885

“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.