Sugi Predict

Sugi Predict / Compounds / SCHEMBL2056645

SCHEMBL2056645

SCHEMBL2056645

Cc1ccc(N)c([N+](=O)[O-])c1N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.55
▸ CYP3A4 P08684 5/20 0.55
▸ ALDH1A1 P00352 8/20 0.52
▸ TDP1 Q9NUW8 6/20 0.52
▸ RECQL P46063 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ ACHE P22303 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL14269307 0.87 ALDH1A1 (0.58) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL30842645 0.87 ALDH1A1 (0.58) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL938653 0.85 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2056619 0.83 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL377032 0.83 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL30488438 0.82 MEN1 (0.48) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL6048769 0.82 MEN1 (0.48) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL938650 0.82 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2371812 0.80 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL21248800 0.80 ALDH1A1 (0.45) TSHRCYP3A4ALDH1A1TDP1RECQL

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241318-B2 Hair dye CREATE CO. (JP) 2007-07-10 — — US claimed
CN-1903161-A Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2007-01-31 — — CN claimed
CN-1899244-A Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2007-01-24 — — CN claimed
US-20040111810-A1 Hair dye CREATE CO. (JP) 2004-06-17 — — US claimed
EP-3233854-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING A PYRAZOLOPYRIDINE UNIT L'OREAL (FR) 2017-10-25 — — EP disclosed
CN-106924056-A For the make-up composition of keratin fiber 莱雅公司 2017-07-07 — — CN disclosed
WO-2016097196-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING A PYRAZOLOPYRIDINE UNIT L'OREAL (FR) 2016-06-23 — — WO disclosed
CN-102018636-B Usage of drying oil for wash-protecting the color of artificially dyed keratin fibers OREAL 2012-12-26 — — CN disclosed
CN-1847325-B Dye composition with a reduced content of starting materials and dyeing process OREAL 2012-09-05 — — CN disclosed
CN-102481235-A Cosmetic composition for keratin fibers OREAL 2012-05-30 — — CN disclosed
CN-102018636-A Usage of drying oil for wash-protecting the color of artificially dyed keratin fibers OREAL 2011-04-20 — — CN disclosed
US-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2011-03-03 — — US disclosed
CN-101327171-A Dyeing processes comprising at least one multi-carbosite, multi-group coupling agent for wash-protecting the color of artificially dyed keratin fibers OREAL (FR) 2008-12-24 — — CN disclosed
CN-101057818-A Use of a cosmetic composition for improving the colour of artificially dyed keratinous fibres. OREAL (FR) 2007-10-24 — — CN disclosed
US-7241318-B2 Hair dye CREATE CO. (JP) 2007-07-10 — — US disclosed
CN-1903161-A Composition for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2007-01-31 — — CN disclosed
CN-1899244-A Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2007-01-24 — — CN disclosed
CN-1816317-A Composition comprising at least one substituted 2-[2-(4-amino phenyl)ethenyl]-1-pyridinium derivative, process for treating keratin fibres using it, device and use thereof OREAL (FR) 2006-08-09 — — CN disclosed
CN-1800163-A Dissymmetrical diazo compounds comprising 2-pyridinium group and a cationic or non-cationic linker, compositions comprising them, method for coloring, and device OREAL (FR) 2006-07-12 — — CN disclosed
US-20040111810-A1 Hair dye CREATE CO. (JP) 2004-06-17 — — 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-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION TET1, ALKBH1, NQO1 TSHR 3365/4885CYP3A4 412/4885ALDH1A1 127/4885

“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.