SCHEMBL15329437

SCHEMBL15329437

O=[N+]([O-])c1ccc(OC2=NC=C[N]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.51
HTT P42858 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SRD5A2 P31213 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CES1 P23141 2/20 0.42
CA9 Q16790 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL11689190 0.77 HSPB1 (0.79) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL2011179 0.77 HSPB1 (0.79) HSPB1HTTMEN1KMT2AMAPT
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.77 HSPB1 (0.79) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL9183872 0.77 HSPB1 (0.79) HSPB1HTTMEN1KMT2AMAPT
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.75 HSPB1 (0.76) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL9326257 0.72 HTT (0.74) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL311582 0.71 KMT2A (0.73) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL3208134 0.71 HSPB1 (0.70) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL28051442 0.71 HSPB1 (0.70) HSPB1HTTMEN1KMT2AMAPT
SCHEMBL3997433 0.71 HSPB1 (0.63) HSPB1HTTMEN1KMT2AMAPT

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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 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-20130281490-A1 Disubstituted Beta-lactones as Inhibitors of N-Acylethanolamine Acid Amidase (NAAA) NAAA, FAAH, FAAH2 HSPB1 3057/4885HTT 2449/4885MEN1 3277/4885

“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.