SCHEMBL209456

SCHEMBL209456

Nc1ncc(Br)c(N2CCN(CC3CC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
TRPC5 Q9UL62 1/20 0.37
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RPS6KB1 P23443 1/20 0.33
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL209888 0.95 TRPC5 (0.40) AURKASIGMAR1TRPC5HTTNPC1
SCHEMBL208825 0.84 MAPT (0.45) HTTMAPTLMNASMN1; SMN2BLM
SCHEMBL4757760 0.82 RPS6KB1 (0.36) SIGMAR1TRPC5HTTNPC1MAPT
SCHEMBL208346 0.81 AURKA (0.42) AURKAHTTNPC1MAPTLMNA
SCHEMBL2731281 0.80 ALDH1A1 (0.52) TRPC5NPC1MAPTLMNASMN1; SMN2
SCHEMBL208800 0.80 AURKA (0.43) AURKAMAPTKCNH2L3MBTL1RPS6KB1
SCHEMBL23922749 0.79 SIGMAR1 (0.39) SIGMAR1HTTNPC1MAPTKCNH2
SCHEMBL207969 0.79 AURKA (0.46) AURKAMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL209448 0.79 POLB (0.52) AURKAMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL209785 0.78 AURKA (0.47) AURKAMAPTKCNH2L3MBTL1DRD2

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
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

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 3/4885SIGMAR1 2301/4885TRPC5 3739/4885

“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.