SCHEMBL15329823

SCHEMBL15329823

CNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
TP53 P04637 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 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
SCHEMBL12852871 0.93 ALOX5 (0.53) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL13600434 0.89 ALOX5 (0.57) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL232779 0.85 TP53 (0.64) ALOX5TP53MEN1KMT2AALDH1A1
SCHEMBL11692409 0.84 GAA (0.50) ALOX5TP53MEN1KMT2AALDH1A1
Acetone SCHEMBL28637824 0.83 TP53 (0.58) ALOX5TP53MEN1KMT2AALDH1A1
SCHEMBL2367399 0.83 HTT (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9133420 0.83 TP53 (0.62) ALOX5TP53MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2299193 0.83 TP53 (0.62) ALOX5TP53MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3088495 0.83 TP53 (0.62) ALOX5TP53MEN1KMT2AALDH1A1
Methane SCHEMBL7896214 0.83 TP53 (0.62) ALOX5TP53MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 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-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 ALOX5 190/4885TP53 4714/4885MEN1 3507/4885

“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.