Sugi Predict

Sugi Predict / Compounds / SCHEMBL209133

SCHEMBL209133

SCHEMBL209133

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA7 P43166 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ ME2 P23368 1/20 0.47
▸ ME1 P48163 1/20 0.47
▸ ME3 Q16798 1/20 0.47
▸ REV1 Q9UBZ9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ PTPN11 Q06124 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 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
SCHEMBL208977 0.91 DRD2 (0.55) THRBNPSR1AURKACA1CA2
SCHEMBL208531 0.89 AURKA (0.51) THRBNPSR1AURKACA1CA2
SCHEMBL210092 0.85 CA1 (0.51) NPSR1CA1CA2CA7ALDH1A1
SCHEMBL208904 0.85 GAA (0.49) NPSR1AURKACA1CA2CA12
SCHEMBL208675 0.82 AURKA (0.61) AURKALMNASMN1; SMN2KDRKMT2A
SCHEMBL2731281 0.81 ALDH1A1 (0.52) CA1CA2CA12ALDH1A1MAPT
SCHEMBL207701 0.80 AURKA (0.53) NPSR1AURKAALDH1A1MAPTDRD2
SCHEMBL209446 0.79 MEN1 (0.48) THRBNPSR1AURKAALDH1A1MAPT
SCHEMBL209190 0.79 ALDH1A1 (0.44) AURKAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL208825 0.77 MAPT (0.45) ALDH1A1MAPTHTTLMNASMN1; SMN2

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 THRB 2381/4885NPSR1 2356/4885AURKA 3/4885

“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.