SCHEMBL1154829

SCHEMBL1154829

CN(OCCO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
MAPT P10636 4/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
PHLPP2 Q6ZVD8 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
SCHEMBL9717137 0.83 TSHR (0.49) GAAMAPTCA1CA2TSHR
SCHEMBL27376215 0.77 MAPT (0.55) GAAMAPTCA12CA1CA2
SCHEMBL8977870 0.75 MAPT (0.53) GAAMAPTCA12CA1CA2
SCHEMBL27389983 0.75 CA1 (0.58) GAAMAPTCA12CA1CA2
SCHEMBL1729465 0.75 MAPT (0.68) GAAMAPTCA12CA1CA2
Ethylene Glycol SCHEMBL28236042 0.72 TSHR (0.71) GAAMAPTCA1CA2TSHR
SCHEMBL17018433 0.70 ALDH1A1 (0.57) GAAMAPTCA12CA1CA2
SCHEMBL14165160 0.70 MAPT (0.60) GAAMAPTCA12CA1CA2
SCHEMBL21474173 0.70 MAPT (0.60) GAAMAPTCA12CA1CA2
SCHEMBL12590141 0.70 ALDH1A1 (0.57) GAAMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8083809-B2 Azomethine direct dyes or reduced precursors of these dyes obtained from 2-chloro-3-amino-6-methylphenol, and hair dyeing method starting from these dyes and precursors L'OREAL S.A. (FR) 2011-12-27 US disclosed
EP-2229140-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS OREAL (FR) 2011-08-03 EP disclosed
US-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL S.A (FR) 2011-02-24 US disclosed
WO-2010142776-A1 N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
WO-2010142777-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
EP-2229140-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'Oréal (FR) 2010-09-22 EP disclosed
WO-2009077393-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL (FR) 2009-06-25 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 (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-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS KRT18, MKI67, DNMT1 GAA 4852/4885MAPT 1212/4885CA12 401/4885

“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.