Sugi Predict

Sugi Predict / Compounds / SCHEMBL128166

SCHEMBL128166

SCHEMBL128166

CNc1cc(OCC(O)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CDK4 P11802 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 8/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40

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
SCHEMBL27864264 0.89 CDK4 (0.41) TSHRMAPK1CDK4CDK2SMN1; SMN2
SCHEMBL10711133 0.89 KMT2A (0.47) CDK4CDK2SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL10494927 0.88 KMT2A (0.46) CDK4CDK2SMN1; SMN2NPC1RAB9A
SCHEMBL11045778 0.86 GLA (0.42) TSHRMAPK1CDK4CDK2SMN1; SMN2
SCHEMBL11046423 0.85 MAPT (0.52) TSHRMAPK1CDK4CDK2SMN1; SMN2
SCHEMBL11048795 0.85 TDP1 (0.45) TSHRMAPK1CDK4CDK2SMN1; SMN2
SCHEMBL9269272 0.84 TSHR (0.48) TSHRMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL11044515 0.83 SIRT5 (0.52) TSHRMAPK1CDK4CDK2SMN1; SMN2
SCHEMBL5455930 0.83 SMN1; SMN2 (0.54) TSHRMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL9820304 0.83 MAPK1 (0.41) TSHRMAPK1CDK4CDK2SMN1; 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 1234 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737964-B2 Hair color toning compositions, methods of use, and kits L'OREAL (FR) 2023-08-29 — — US claimed
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS L'OREAL (FR) 2023-03-30 — — US claimed
WO-2022189412-A1 HAIR COLORING COMPOSITION COMPRISING A (POLY)CARBODIIMIDE COMPOUND AND A NONIONIC AMINO DIRECT DYE L'OREAL (FR) 2022-09-15 — — WO claimed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 — — CN claimed
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 — — EP claimed
US-8263056-B2 Dyed-hair-binding peptides and peptide-based hair reagents for personal care E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-11 — — US claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 — — EP claimed
EP-2335780-A1 Method for enhancing effects of colorants and conditioners E. I. du Pont de Nemours and Company (US) 2011-06-22 — — EP claimed
US-7964180-B2 Method for enhancing effects of colorants and conditioners E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-21 — — US claimed
EP-2332512-A1 Method for enhancing effects of colorants and conditioners E. I. du Pont de Nemours and Company (US) 2011-06-15 — — EP claimed
EP-0673926-A1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres L'OREAL (FR) 1995-09-27 — — EP claimed
EP-0646108-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1995-04-05 — — EP claimed
EP-0646109-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES. OREAL (FR) 1995-04-05 — — EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 — — EP claimed
WO-1994000415-A1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 — — WO claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 — — WO claimed
US-5226924-A 1,4-DI(MONO- OR POLY) HYDROXYALKYLAMINO-9,10-ANTHRAQUINONES FOR DYEING HUMAN KERATINOUS FIBRES, COSMETIC COMPOSITION CONTAINING THEM IN COMBINATION WITH AZO AND NITROBENZENE DYES, AND HAIR-DYEING PROCESS USING THEM L'OREAL (FR) 1993-07-13 — — US claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 — — EP claimed
US-4981486-A Washfast, lightfast; for bleached or permed hair L'OREAL (FR) 1991-01-01 — — US claimed
US-4432769-A MADE BY REACTING 3-AMINO-4-NITRO-CHLOROBENZENE WITH GLYCEROL L'OREAL (FR) 1984-02-21 — — US claimed

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-11737964-B2 Hair color toning compositions, methods of use, and kits CUTA, TAAR5, SHH TSHR 392/4885MAPK1 1729/4885CDK4 4360/4885
US-20230099740-A1 HAIR COLOR TONING COMPOSITIONS, METHODS OF USE, AND KITS CUTA, TAAR5, SHH TSHR 392/4885MAPK1 1729/4885CDK4 4360/4885

“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.