SCHEMBL208531

SCHEMBL208531

Nc1ncc(Cl)c(N2CCN(CC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.47
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
REV1 Q9UBZ9 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNA5 P22460 1/20 0.45
PTPN11 Q06124 1/20 0.44
ATM Q13315 1/20 0.44
CHRNB2 P17787 1/20 0.44

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
SCHEMBL207701 0.91 AURKA (0.53) AURKANPSR1ALDH1A1MAPTDRD2
SCHEMBL209133 0.89 THRB (0.50) AURKATHRBNPSR1HTTME2
SCHEMBL14495694 0.82 HSP90AA1 (0.42) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL209230 0.82 LMNA (0.59) AURKALMNASMN1; SMN2KCNA5
SCHEMBL208458 0.81 DRD4 (0.48) AURKANPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2759414 0.80 LMNA (0.36) AURKAHTTALDH1A1LMNAMAPT
SCHEMBL209444 0.80 LMNA (0.50) AURKAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL208665 0.80 ALDH1A1 (0.40) AURKAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL208977 0.80 DRD2 (0.55) AURKATHRBNPSR1CA12CA1
SCHEMBL209883 0.79 SIGMAR1 (0.46) ALDH1A1MAPTDRD2

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 8 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
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 3/4885THRB 2381/4885NPSR1 2356/4885

“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.