SCHEMBL112790

SCHEMBL112790

Cc1cc(N)c([N+](=O)[O-])cc1NCCN

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KAT2B Q92831 7/20 0.49
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL30808005 1.00 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
Bromide SCHEMBL10714879 0.97 MAPT (0.51) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL11056017 0.91 KAT2B (0.60) MAPTALDH1A1KAT2BLMNA
SCHEMBL11056141 0.88 MAPT (0.54) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL6151634 0.87 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL29391950 0.87 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL111935 0.87 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A
SCHEMBL11054352 0.84 MAPT (0.49) MAPTALDH1A1LMNAKMT2ATSHR
SCHEMBL11059627 0.84 MAPT (0.50) MAPTALDH1A1KAT2BLMNA
SCHEMBL21810594 0.83 MAPT (0.52) MAPTALDH1A1KAT2BLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
EP-1437123-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2004-07-14 EP claimed
EP-0999823-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2004-06-16 EP claimed
US-6712861-B2 CATIONIC DIRECT DYE L'OREAL S.A. (FR) 2004-03-30 US claimed
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods L'OREAL S.A. (FR) 2003-05-08 US claimed
US-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL S.A. (FR) 2003-01-02 US claimed
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRAVTCHENKO SYLVAIN (FR) 2002-07-25 US claimed
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME RONDEAU CHRISTINE (FR) 2002-01-17 US claimed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP 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
EP-3229918-B1 COMPOSITION AND PROCEDURE FOR TREATING KERATINIC FIBERS WITH FLASH EVAPORATION HENKEL AG & CO KGAA (DE) 2024-03-13 EP disclosed
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2023-05-04 US disclosed
CN-105828882-B Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2022-09-30 CN disclosed
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 US disclosed
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 US disclosed
US-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 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 (5 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-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, CYB5R3, TUBB6 MAPT 834/4885ALDH1A1 640/4885KAT2B 663/4885
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 MAPT 559/4885ALDH1A1 60/4885KAT2B 566/4885
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE KRT18, TPM3, PRKDC MAPT 904/4885ALDH1A1 372/4885KAT2B 1064/4885
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 MAPT 559/4885ALDH1A1 60/4885KAT2B 566/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B MAPT 522/4885ALDH1A1 1091/4885KAT2B 114/4885

“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.