SCHEMBL209733

SCHEMBL209733

CC(c1ccccc1)N1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.44
CYP2D6 P10635 1/20 0.43
DGKA P23743 2/20 0.41
DGKG P49619 1/20 0.41
DGKB Q9Y6T7 1/20 0.41
MC4R P32245 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
AURKA O14965 3/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
RAB9A P51151 2/20 0.36
DGKI O75912 1/20 0.36
DGKZ Q13574 1/20 0.36
RPS6KB1 P23443 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL208549 0.91 AURKA (0.47) TRPC5DGKADGKGDGKBCHRM2
SCHEMBL209294 0.90 DGKA (0.37) TRPC5DGKADGKGDGKBAURKA
SCHEMBL210166 0.87 AURKA (0.46) TRPC5CYP2D6DGKADGKGDGKB
SCHEMBL209547 0.87 DGKA (0.36) TRPC5DGKADGKGDGKBAURKA
SCHEMBL209446 0.83 MEN1 (0.48) AURKAMAPTRPS6KB1ALDH1A1HTT
SCHEMBL2731281 0.78 ALDH1A1 (0.52) TRPC5MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL207918 0.78 AURKA (0.37) DGKADGKGDGKBCHRM2CHRM1
SCHEMBL208346 0.78 AURKA (0.42) AURKAMAPTRPS6KB1ALDH1A1HTT
SCHEMBL208860 0.77 LMNA (0.49) AURKAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL209373 0.76 ABL1 (0.39) MAPTGPR55RPS6KB1ALDH1A1HTT

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 12 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
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 TRPC5 3739/4885CYP2D6 1028/4885DGKA 3872/4885

“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.