SCHEMBL5111614

SCHEMBL5111614

O=C(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72
MAPT P10636 5/20 0.72
POLB P06746 4/20 0.72
HTT P42858 3/20 0.72
DDX3X O00571 2/20 0.72
CTDSP1 Q9GZU7 1/20 0.72
GAA P10253 2/20 0.63
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
BLM P54132 1/20 0.57
PKM P14618 1/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
MAPK1 P28482 1/20 0.56

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
Potassium Ion SCHEMBL3975659 0.97 MEN1 (0.68) MEN1KMT2AMAPTPOLBHTT
SCHEMBL20799602 0.85 CASR (0.53) MEN1KMT2AMAPTPOLBHTT
SCHEMBL3869188 0.85 MEN1 (0.67) MEN1KMT2AMAPTPOLBHTT
SCHEMBL1047211 0.85 MEN1 (1.00) MEN1KMT2AMAPTPOLBHTT
SCHEMBL9471704 0.83 MEN1 (0.60) MEN1KMT2AMAPTPOLBHTT
SCHEMBL7414909 0.83 MEN1 (0.79) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6129390 0.83 MEN1 (0.90) MEN1KMT2AMAPTPOLBHTT
SCHEMBL17084065 0.83 MEN1 (0.96) MEN1KMT2AMAPTPOLBHTT
SCHEMBL3978453 0.82 MEN1 (0.69) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6192945 0.82 MAPT (0.61) MEN1KMT2AMAPTPOLBHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB MEN1 319/4885KMT2A 557/4885MAPT 338/4885

“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.