SCHEMBL208977

SCHEMBL208977

Nc1ncc(Br)c(N2CCN(CC(=O)Nc3cccnc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
DRD4 P21917 4/20 0.55
DRD3 P35462 2/20 0.55
AURKA O14965 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
CYP11B2 P19099 2/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL209133 0.91 THRB (0.50) DRD2DRD4DRD3AURKAALDH1A1
SCHEMBL208675 0.81 AURKA (0.61) AURKALMNASMN1; SMN2
SCHEMBL209785 0.80 AURKA (0.47) DRD2DRD4DRD3AURKAL3MBTL1
SCHEMBL208531 0.80 AURKA (0.51) DRD2DRD4DRD3AURKAALDH1A1
SCHEMBL207701 0.77 AURKA (0.53) DRD2DRD4DRD3AURKAALDH1A1
SCHEMBL210092 0.77 CA1 (0.51) L3MBTL1POLBALDH1A1NPSR1MAPT
SCHEMBL208904 0.76 GAA (0.49) AURKAALDH1A1NPSR1LMNAMAPT
SCHEMBL209190 0.76 ALDH1A1 (0.44) AURKAL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL209448 0.75 POLB (0.52) AURKAL3MBTL1POLBALDH1A1MAPT
SCHEMBL208825 0.74 MAPT (0.45) L3MBTL1POLBALDH1A1LMNAMAPT

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 DRD2 4229/4885DRD4 4489/4885DRD3 2655/4885

“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.