SCHEMBL209541

SCHEMBL209541

Nc1ncc(Cl)c(N2CCN(Cc3cccnc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
MGMT P16455 1/20 0.43
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
POLB P06746 2/20 0.42
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL208548 0.89 POLB (0.53) ALDH1A1L3MBTL1MAPTNPBWR1MCHR1
SCHEMBL209785 0.88 AURKA (0.47) DRD2DRD4DRD3CHRNB2CHRNA4
SCHEMBL210676 0.87 AURKA (0.42) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL209669 0.86 MEN1 (0.45) KDM4EALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4757112 0.83 DRD2 (0.38) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL4754624 0.82 PPARD (0.43) ALDH1A1L3MBTL1MAPTNPBWR1MCHR1
SCHEMBL209883 0.81 SIGMAR1 (0.46) DRD2ALDH1A1L3MBTL1MAPTNPBWR1
SCHEMBL209615 0.79 MAPT (0.45) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL2731281 0.79 ALDH1A1 (0.52) ALDH1A1TDP1L3MBTL1MAPTNPBWR1
SCHEMBL207138 0.79 NPC1 (0.45) KDM4EALDH1A1TDP1MAPTNPBWR1

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
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 DRD2 4229/4885DRD4 4489/4885DRD3 2655/4885

“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.