SCHEMBL208346

SCHEMBL208346

CC(C)CN1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 1/20 0.34
RPS6KB1 P23443 2/20 0.33
POLB P06746 1/20 0.33
IGF1R P08069 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 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
SCHEMBL208825 0.87 MAPT (0.45) KMT2AMAPTSMN1; SMN2BLMLMNA
SCHEMBL208875 0.86 RPS6KB1 (0.38) KMT2AMEN1MAPTSMN1; SMN2BLM
SCHEMBL209456 0.81 AURKA (0.41) AURKAKCNH2KMT2AMAPTSMN1; SMN2
SCHEMBL208800 0.80 AURKA (0.43) AURKAKCNH2KMT2AMEN1MAPT
SCHEMBL2731281 0.80 ALDH1A1 (0.52) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL209888 0.80 TRPC5 (0.40) AURKAMAPTSMN1; SMN2BLMLMNA
SCHEMBL208836 0.79 AURKA (0.46) AURKAKCNH2KMT2AMEN1ALDH1A1
SCHEMBL209244 0.79 ALDH1A1 (0.55) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL210004 0.79 AURKA (0.51) AURKAKCNH2MAPTSMN1; SMN2BLM
SCHEMBL208704 0.79 DRD2 (0.38) AURKAKCNH2KMT2AMEN1MAPT

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 AURKA 3/4885KCNH2 499/4885KMT2A 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.