SCHEMBL208675

SCHEMBL208675

Nc1ncc(Br)c(N2CCN(CC(=O)Nc3nccs3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.61
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 1/20 0.48
KDR P35968 1/20 0.45
KCNA5 P22460 3/20 0.45

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
SCHEMBL209230 0.89 LMNA (0.59) AURKALMNASMN1; SMN2KMT2AKDR
SCHEMBL13985740 0.87 LMNA (0.57) AURKALMNASMN1; SMN2KMT2AKDR
SCHEMBL210917 0.87 AURKA (0.67) AURKALMNASMN1; SMN2KMT2AKDR
SCHEMBL207422 0.86 EPHX2 (0.50) AURKALMNASMN1; SMN2
SCHEMBL209133 0.82 THRB (0.50) AURKALMNASMN1; SMN2KMT2AKDR
SCHEMBL208977 0.81 DRD2 (0.55) AURKALMNASMN1; SMN2
SCHEMBL208698 0.80 AURKA (0.39) AURKALMNASMN1; SMN2KMT2A
SCHEMBL211301 0.80 ALOX15 (0.37) AURKALMNASMN1; SMN2KMT2A
SCHEMBL209190 0.77 ALDH1A1 (0.44) AURKASMN1; SMN2KMT2A
SCHEMBL209129 0.77 AURKA (0.75) AURKALMNASMN1; SMN2KMT2AKDR

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 3/4885LMNA 2674/4885SMN1; SMN2 3132/4885

“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.