SCHEMBL207138

SCHEMBL207138

Nc1ncc(Cl)c(N2CCN(Cc3c(F)cccc3Cl)CC2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2A13 Q16696 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 1/20 0.41
DCPS Q96C86 1/20 0.41
HSD11B1 P28845 1/20 0.40
CACNA1G O43497 3/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RPS6KB1 P23443 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL209669 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1NPBWR1
SCHEMBL208548 0.80 POLB (0.53) MEN1KMT2AALDH1A1NPBWR1MCHR1
SCHEMBL209541 0.79 DRD2 (0.50) MEN1KMT2AALDH1A1TDP1NPBWR1
SCHEMBL209615 0.78 MAPT (0.45) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL210676 0.78 AURKA (0.42) MEN1KMT2AALDH1A1NPBWR1MCHR1
SCHEMBL4757112 0.78 DRD2 (0.38) ALDH1A1NPBWR1MCHR1MAPTRPS6KB1
SCHEMBL4754624 0.77 PPARD (0.43) ALDH1A1NPBWR1MCHR1MAPTKCNH2
SCHEMBL209883 0.76 SIGMAR1 (0.46) MEN1KMT2AALDH1A1NPBWR1MCHR1
SCHEMBL17092831 0.76 AURKA (0.45) MEN1KMT2AALDH1A1NPBWR1MCHR1
SCHEMBL209352 0.76 AURKA (0.37) ALDH1A1NPBWR1MCHR1MAPTKCNH2

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 NPC1 2210/4885RAB9A 3768/4885MEN1 471/4885

“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.