SCHEMBL15023592

SCHEMBL15023592

COc1cc([N+](=O)[O-])cc(N)c1CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
TDP1 Q9NUW8 2/20 0.53
ERN1 O75460 1/20 0.44
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
GPR35 Q9HC97 1/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.38
TTR P02766 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL3910018 0.84 GPR35 (0.50) HTTTDP1MAPTGPR35TSHR
SCHEMBL11653422 0.79 HTT (0.54) HTTTDP1ERN1PKMTSHR
SCHEMBL9650266 0.78 GAA (0.50) HTTTDP1MAPTRECQLGPR35
SCHEMBL28959524 0.76 ERN1 (0.62) HTTTDP1ERN1MAPTRECQL
SCHEMBL29407238 0.76 HTT (0.66) HTTTDP1ERN1MAPTRECQL
SCHEMBL477199 0.76 HTT (0.66) HTTTDP1ERN1MAPTRECQL
SCHEMBL10847430 0.76 ALDH1A1 (0.55) HTTTDP1MAPTGPR35TSHR
SCHEMBL7929928 0.73 HTT (0.67) HTTTDP1ERN1MAPTRECQL
SCHEMBL7517829 0.73 HTT (0.57) HTTTDP1MAPTPKMTSHR
SCHEMBL30723005 0.71 ALDH1A1 (0.40) HTTTDP1MAPTPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579841-B1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS ORÉAL L (FR) 2016-09-14 EP disclosed
US-8771376-B2 Composition comprising at least one 2-pyrrolidone functionalized with an ester or amide radical, and at least one pigment or direct dye, for dyeing keratin materials L'OREAL (FR) 2014-07-08 US disclosed
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2013-06-20 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-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS KRT18, ADH1A, ADH5 HTT 463/4885TDP1 2843/4885ERN1 4653/4885

“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.