Sugi Predict

Sugi Predict / Compounds / SCHEMBL3982853

SCHEMBL3982853

SCHEMBL3982853

Nc1c(N(CCO)CCO)ccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HCAR3 P49019 1/20 0.32
▸ POLB P06746 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ ALDH3A1 P30838 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL354095 0.81 TSHR (0.43) TSHRALDH1A1TDP1POLBMAPT
SCHEMBL5710258 0.79 TSHR (0.44) TSHRALDH1A1TDP1POLBGAA
SCHEMBL109354 0.78 NSD2 (0.38) NSD2NCOA1NCOA3TSHRALDH1A1
SCHEMBL872694 0.77 TSHR (0.40) TSHRALDH1A1POLBGAAHTT
SCHEMBL29377050 0.77 TSHR (0.40) TSHRALDH1A1POLBGAAHTT
SCHEMBL4456705 0.76 ALDH1A1 (0.39) TSHRALDH1A1TDP1POLBMAPT
SCHEMBL27881224 0.76 TSHR (0.39) TSHRALDH1A1POLBMAPTHTT
SCHEMBL1437068 0.76 TSHR (0.39) TSHRALDH1A1TDP1POLBMAPT
SCHEMBL1436657 0.74 ALDH1A1 (0.39) TSHRALDH1A1KDM4ETDP1POLB
SCHEMBL22833863 0.73 TSHR (0.42) TSHRALDH1A1TDP1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877593-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1998-11-18 — — EP claimed
WO-1998023247-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-06-04 — — WO claimed
CN-110300573-B Use of biobased polymers in cosmetic, dermatological or pharmaceutical compositions 科莱恩国际有限公司 2023-07-25 — — CN disclosed
CN-109640659-B Composition for inhibiting microorganisms 科莱恩国际有限公司 2021-08-31 — — CN disclosed
CN-112955113-A Antimicrobial binding compositions comprising glycerol derivatives and bicyclic compounds 科莱恩国际有限公司 2021-06-11 — — CN disclosed
CN-111936110-A Two-component hair treatment kit comprising a hair dye cream and a developer composition comprising specific surface-active compounds 科斯梅蒂克生物技术实验室有限公司 2020-11-13 — — CN disclosed
CN-106794127-B Permanent hair dye based on an emulsion-like vehicle and a combination of tris (hydroxymethyl) aminomethane, at least one amino acid and an oxidation dye HCT-头发化妆品技术股份公司 2020-05-29 — — CN disclosed
EP-1660022-B1 AGENT FOR COLOURING KERATIN FIBRES HFC PRESTIGE INT HOLDING SWITZERLAND S A R L (CH) 2017-04-12 — — EP disclosed
EP-1771226-B2 MULTICOMPONENT KIT AND METHOD FOR DYEING KERATIN FIBRES Wella GmbH (DE) 2016-03-09 — — EP disclosed
CN-102448549-B Hair conditioning composition comprising a cationic surfactant system and a direct dye PROCTER & GAMBLE 2014-11-12 — — CN disclosed
EP-1742709-B1 COLORING AGENT HAVING A PEARLY LUSTER FOR KERATIN FIBERS PROCTER & GAMBLE (US) 2009-06-17 — — EP disclosed
US-20020000012-A1 Compositions and methods for dyeing keratin fibers, especially hair WELLA AKTIENGESELLSCHAFT (DE) 2002-01-03 — — US disclosed
US-6106579-A MIXTURE OF OXOCARBOXYLIC ACID AND REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-08-22 — — US disclosed
EP-0943316-A2 Means for coloring and decoloring of hair Wella Aktiengesellschaft (DE) 1999-09-22 — — EP disclosed
EP-0889719-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1999-01-13 — — EP disclosed
EP-0877593-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1998-11-18 — — EP disclosed
WO-1998023247-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-06-04 — — WO disclosed
WO-1998022078-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-05-28 — — WO disclosed
US-5685881-A Aromatic allylaminonitro compounds, hair dye compositions containing aromatic allylaminonitio compounds, and synthetic and natural fiber dyeing process HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-11-11 — — US disclosed
US-4931066-A Hair dye mixture of direct dye and xanthine derivative L'OREAL (FR) 1990-06-05 — — 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-20020000012-A1 Compositions and methods for dyeing keratin fibers, especially hair KRT18, DSG1, KRTCAP2 NSD2 1407/4885NCOA1 2749/4885NCOA3 2618/4885

“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.