SCHEMBL207422

SCHEMBL207422

Nc1ncc(Br)c(N2CCC(CC(=O)Nc3nccs3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
AURKA O14965 4/20 0.45
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL208675 0.86 AURKA (0.61) AURKALMNASMN1; SMN2
SCHEMBL13985740 0.77 LMNA (0.57) AURKALMNASMN1; SMN2
SCHEMBL209230 0.75 LMNA (0.59) AURKALMNASMN1; SMN2CYP2D6CYP3A4
SCHEMBL211301 0.73 ALOX15 (0.37) AURKALMNASMN1; SMN2CYP2D6POLB
SCHEMBL210917 0.72 AURKA (0.67) AURKALMNASMN1; SMN2
SCHEMBL209872 0.71 ATM (0.46) LMNASMN1; SMN2MAPTHTTGAA
SCHEMBL209456 0.71 AURKA (0.41) AURKALMNASMN1; SMN2MAPTHTT
SCHEMBL13985715 0.70 MAP4K4 (0.44) LMNASMN1; SMN2MAPTHTT
SCHEMBL208698 0.70 AURKA (0.39) AURKALMNASMN1; SMN2CYP2D6POLB
SCHEMBL210422 0.70 EPHX2 (0.71) EPHX2SMN1; SMN2CYP2D6POLBMAPT

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 7 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

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 EPHX2 1006/4885AURKA 3/4885LMNA 2674/4885

“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.