SCHEMBL391701

SCHEMBL391701

O=C(Nc1ccccc1)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.46
S1PR3 Q99500 2/20 0.46
HTR1E P28566 1/20 0.46
KLK7 P49862 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
ATM Q13315 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ALOX5 P09917 1/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL28780945 0.87 KMT2A (0.59) POLBALDH1A1MEN1KMT2AS1PR3
Hydrochloric Acid SCHEMBL27295789 0.83 LMNA (0.46) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL4364196 0.80 POLB (0.53) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL4609425 0.80 KDM4E (0.48) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL8509314 0.79 ALDH1A1 (0.56) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL74691 0.77 SRC (0.48) ALDH1A1LMNATSHRMAPK1
SCHEMBL28965007 0.77 POLB (0.50) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL28226450 0.77 POLB (0.50) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL3192618 0.77 POLB (0.50) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL7836270 0.77 MAPT (0.54) POLBALDH1A1MEN1KMT2AMAPT

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 6 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-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-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
EP-1740947-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2007-01-10 EP disclosed
WO-2005098437-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD (GB) 2005-10-20 WO 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 POLB 4081/4885ALDH1A1 1039/4885MEN1 3023/4885
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES F12, ANXA6, PYM1 POLB 3985/4885ALDH1A1 1468/4885MEN1 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.