SCHEMBL208458

SCHEMBL208458

CN(C(=O)CN1CCN(c2c(Cl)cnc(N)c2[N+](=O)[O-])CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
AURKA O14965 2/20 0.43
ALDH1A1 P00352 4/20 0.40
P2RY12 Q9H244 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 1/20 0.39
TACR1 P25103 1/20 0.38
OPRK1 P41145 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLQ O75417 1/20 0.36

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
SCHEMBL208531 0.81 AURKA (0.51) DRD4AURKAALDH1A1MAPTNPSR1
SCHEMBL14495694 0.81 HSP90AA1 (0.42) ALDH1A1MAPTNPSR1SMN1; SMN2MEN1
SCHEMBL209615 0.78 MAPT (0.45) ALDH1A1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL209883 0.77 SIGMAR1 (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL207839 0.76 KCNA5 (0.44) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL208875 0.75 RPS6KB1 (0.38) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL207701 0.75 AURKA (0.53) DRD4AURKAALDH1A1MAPTNPSR1
SCHEMBL209669 0.74 MEN1 (0.45) AURKAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL210166 0.73 AURKA (0.46) AURKAALDH1A1RAB9AMAPT
SCHEMBL208548 0.73 POLB (0.53) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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 9 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-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 DRD4 4489/4885AURKA 3/4885ALDH1A1 3015/4885

“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.