Sugi Predict

Sugi Predict / Compounds / SCHEMBL1436652

SCHEMBL1436652

SCHEMBL1436652

Nc1cccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GPR35 Q9HC97 2/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ CDK5 Q00535 3/20 0.35
▸ CDK5R1 Q15078 3/20 0.35
▸ POLB P06746 3/20 0.34
▸ PDE7A Q13946 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ GSK3A P49840 1/20 0.33

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
Diethanolamine SCHEMBL3256888 0.91 KMT2A (0.39) TSHRALDH1A1KMT2AMAPTCDK5
SCHEMBL9820307 0.90 ALDH1A1 (0.35) TSHRALDH1A1TDP1GPR35KMT2A
Ammonia Solution, Strong SCHEMBL5982581 0.85 TSHR (0.46) TSHRALDH1A1TDP1GPR35S100A4
SCHEMBL28225017 0.83 ALDH1A1 (0.41) TSHRALDH1A1TDP1GPR35KMT2A
Diethanolamine SCHEMBL3045475 0.82 KMT2A (0.37) KMT2AMAPTCDK5CDK5R1POLB
SCHEMBL4303717 0.82 ALDH1A1 (0.34) TSHRALDH1A1TDP1GPR35KMT2A
SCHEMBL7263052 0.82 PTGER1 (0.41) KEAP1
SCHEMBL6278461 0.82 TDP1 (0.42) TSHRALDH1A1TDP1GPR35KMT2A
SCHEMBL11180275 0.81 USP7 (0.40) TSHRALDH1A1TDP1GPR35KMT2A
SCHEMBL94769 0.81 GPR35 (0.55) TSHRALDH1A1TDP1GPR35SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723864-A1 THICKENED ONE-COMPONENT HAIR TONER Henkel AG & Co. KGaA (DE) 2020-10-21 — — EP claimed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 — — 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-6878170-B2 5,6-Dihydroxyindolines as additives for hair dyeing preparations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-12 — — US claimed
US-20030208857-A1 5,6-Dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2003-11-13 — — US claimed
US-20020032938-A1 5,6-dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2002-03-21 — — US claimed
EP-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 — — EP claimed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 — — EP claimed
CN-118201588-A Alkaline solvent hair pre-wash for optimizing wash stability of grade 1 dyeing 汉高股份有限及两合公司 2024-06-14 — — CN disclosed
CN-116829121-A By a process comprising organic C 1 -C 6 Method for treating human hair with an agent of an alkoxysilane mixture 汉高股份有限及两合公司 2023-09-29 — — CN disclosed
EP-4168128-A1 THICKENED ALKALYZATION COMPONENT FOR OXIDATIVE HAIR DYEING PRODUCT Henkel AG & Co. KGaA (DE) 2023-04-26 — — EP disclosed
EP-4065077-A1 AGENT FOR DYEING KERATINOUS MATERIAL, CONTAINING AMINOSILICONE, A CHROMOPHORIC COMPOUND AND PHOSPHOROUS-CONTAINING SURFACTANT Henkel AG & Co. KGaA (DE) 2022-10-05 — — EP disclosed
EP-4007641-A1 METHOD FOR TREATING KERATIN MATERIAL, COMPRISING THE USE OF AN ORGANIC C1-C6 ALKOXY-SILANE AND AN AMINO ACID AND/OR AN AMINO ACID DERIVATIVE Henkel AG & Co. KGaA (DE) 2022-06-08 — — EP disclosed
US-20030208857-A1 5,6-Dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2003-11-13 — — US disclosed
CN-1426295-A Use of sugar surfactants and fatty acid partial glycerides HENKEL KGAA (DE) 2003-06-25 — — CN disclosed
US-6569211-B2 Mixture containing coupler HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-27 — — US disclosed
US-20020032938-A1 5,6-dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2002-03-21 — — US disclosed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 — — US disclosed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 — — EP 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-20020032938-A1 5,6-dihydroxyindolines as additives for hair dyeing preparations SRD5A1, DRD1, DRD4 TSHR 3132/4885ALDH1A1 68/4885TDP1 1653/4885
US-20030208857-A1 5,6-Dihydroxyindolines as additives for hair dyeing preparations SRD5A1, DRD1, DRD4 TSHR 3132/4885ALDH1A1 68/4885TDP1 1653/4885

“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.