SCHEMBL208665

SCHEMBL208665

Cc1cc(NC(=O)CN2CCN(c3c(Cl)cnc(N)c3[N+](=O)[O-])CC2)on1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GFER P55789 1/20 0.38
MCL1 Q07820 1/20 0.38
EGFR P00533 2/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ALOX15 P16050 1/20 0.35
AURKA O14965 2/20 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
SCHEMBL209444 0.84 LMNA (0.50) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL208531 0.80 AURKA (0.51) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL209230 0.80 LMNA (0.59) SMN1; SMN2LMNAKMT2AAURKA
SCHEMBL207701 0.79 AURKA (0.53) ALDH1A1GAAMAPTDRD2DRD4
SCHEMBL14495694 0.78 HSP90AA1 (0.42) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL2759414 0.78 LMNA (0.36) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL207989 0.76 AURKA (0.53) AURKA
SCHEMBL209615 0.75 MAPT (0.45) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL208875 0.74 RPS6KB1 (0.38) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL17092830 0.73 AURKA (0.49) LMNAAURKA

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
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 ALDH1A1 3015/4885SMN1; SMN2 3132/4885GAA 1988/4885

“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.