SCHEMBL209547

SCHEMBL209547

CC(c1ccccn1)N1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.36
DGKI O75912 1/20 0.36
DGKZ Q13574 1/20 0.36
HTT P42858 3/20 0.34
NOD2 Q9HC29 1/20 0.34
DGKG P49619 1/20 0.34
DGKB Q9Y6T7 1/20 0.34
RPS6KB1 P23443 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AURKA O14965 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNA5 P22460 3/20 0.32
KCNE1 P15382 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
SCHEMBL209733 0.87 TRPC5 (0.44) DGKADGKIDGKZHTTDGKG
SCHEMBL208549 0.84 AURKA (0.47) DGKADGKIDGKZDGKGDGKB
SCHEMBL209294 0.83 DGKA (0.37) DGKADGKIDGKZDGKGDGKB
SCHEMBL209446 0.78 MEN1 (0.48) HTTRPS6KB1MAPTALDH1A1LMNA
SCHEMBL209244 0.78 ALDH1A1 (0.55) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL208346 0.76 AURKA (0.42) HTTRPS6KB1MAPTALDH1A1LMNA
SCHEMBL210166 0.74 AURKA (0.46) DGKADGKIDGKZDGKGDGKB
SCHEMBL208825 0.74 MAPT (0.45) HTTRPS6KB1MAPTALDH1A1LMNA
SCHEMBL2731281 0.74 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2TRPC5
SCHEMBL208860 0.73 LMNA (0.49) HTTMAPTALDH1A1LMNASMN1; SMN2

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 DGKA 3872/4885DGKI 3085/4885DGKZ 3636/4885

“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.