SCHEMBL391522

SCHEMBL391522

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(O)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
MAPT P10636 2/20 0.70
LMNA P02545 1/20 0.70
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NLRP3 Q96P20 11/20 0.67
HTT P42858 1/20 0.61
KDM4E B2RXH2 1/20 0.59

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
Pyridine SCHEMBL5157631 0.92 ALDH1A1 (0.67) GAAKMT2AMEN1MAPTLMNA
SCHEMBL6754266 0.82 ALDH1A1 (1.00) GAAKMT2AMEN1MAPTLMNA
SCHEMBL7244275 0.81 GAA (0.69) GAAKMT2AMEN1MAPTLMNA
SCHEMBL29520161 0.81 NLRP3 (0.75) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4423342 0.81 NLRP3 (0.75) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL709156 0.80 MEN1 (0.70) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL4628679 0.80 KMT2A (0.71) GAAKMT2AMEN1MAPTLMNA
SCHEMBL27841700 0.79 MEN1 (0.74) GAAKMT2AMEN1MAPTLMNA
SCHEMBL28851551 0.78 NLRP3 (0.67) KMT2AMEN1NLRP3
SCHEMBL10052144 0.78 NLRP3 (0.70) KMT2AMEN1MAPTALDH1A1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101655-B2 Fluorescent dyes and complexes SMITH GERALD ARTHUR (GB) 2012-01-24 US disclosed
US-8101655-B2 Fluorescent dyes and complexes SMITH GERALD ARTHUR (GB) 2012-01-24 US disclosed
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-10-07 US disclosed
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-10-07 US disclosed
US-7674918-B2 Fluorescent dyes and complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-03-09 US disclosed
US-7674918-B2 Fluorescent dyes and complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-03-09 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 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 (2 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-20070238884-A1 Fluorescent Dyes and Complexes F12, PYM1, ANXA6 GAA 3000/4885KMT2A 4230/4885MEN1 3023/4885
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES F12, ANXA6, PYM1 GAA 3335/4885KMT2A 4351/4885MEN1 2188/4885

“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.