SCHEMBL200757

SCHEMBL200757

O=[N+]([O-])c1cc(Cl)ccc1N(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HCAR3 P49019 2/20 0.49
NSD2 O96028 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ALDH3A1 P30838 2/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
VCAM1 P19320 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.43
KIF18A Q8NI77 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9769611 0.91 HCAR3 (0.53) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL7809597 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL29410423 0.81 ALOX15 (0.51) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL9769601 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL8341967 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL871404 0.81 ALOX15 (0.51) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL28808502 0.77 MAPK1 (0.53) ALDH1A1HCAR3ALDH3A1TSHRMAPK1
SCHEMBL3862962 0.77 NSD2 (0.49) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL4011733 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHCAR3NSD2NCOA1
SCHEMBL1984158 0.75 HSD17B10 (0.51) ALDH1A1KDM4ENSD2NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP claimed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 EP claimed
US-11896700-B2 Process for treating keratin fibers using an anhydrous composition comprising a compound of azomethine type comprising two pyrazolopyridine units and an aqueous composition L'OREAL (FR) 2024-02-13 US disclosed
US-20230137804-A1 PROCESS FOR TREATING KERATIN FIBERS USING AN ANHYDROUS COMPOSITION COMPRISING A COMPOUND OF AZOMETHINE TYPE COMPRISING TWO PYRAZOLOPYRIDINE UNITS AND AN AQUEOUS COMPOSITION L'OREAL (FR) 2023-05-04 US disclosed
EP-1464322-B2 Use of compositions containing a chosen fluorescent dye and a chosen amphoteric or nonionic surfactant for dyeing human kerateous fibres with a bleaching effect OREAL (FR) 2022-06-01 EP disclosed
EP-3475278-B1 (DIS)SYMMETRIC AZOMETHINE-TYPE DIRECT DYE COMPRISING AT LEAST ONE PYRAZOLOPYRIDINE UNIT, PROCESS FOR DYEING KERATIN FIBERS USING THIS DYE OREAL (FR) 2021-12-22 EP disclosed
US-11000464-B2 Dyeing composition at acidic pH comprising a direct dye of triarylmethane structure L'OREAL (FR) 2021-05-11 US disclosed
EP-3393441-B1 DYEING COMPOSITION COMPRISING A DIRECT DYE OF TRIARYLMETHANE STRUCTURE, AND A SILICONE OREAL (FR) 2021-01-20 EP disclosed
EP-3474814-B1 A COMPOUND OF AZOMETHINE TYPE BEARING A QUINOLINE-DERIVED UNIT AND ITS USE FOR DYEING KERATIN FIBERS OREAL (FR) 2020-11-11 EP disclosed
US-20200268629-A1 DYEING COMPOSITION AT ACIDIC PH COMPRISING A DIRECT DYE OF TRIARYLMETHANE STRUCTURE L'OREAL (FR) 2020-08-27 US disclosed
EP-3474814-A1 USE FOR DYEING KERATIN FIBERS OF A COMPOUND OF AZOMETHINE TYPE BEARING A QUINOLINE-DERIVED UNIT L'OREAL (FR) 2019-05-01 EP disclosed
EP-1432390-A1 DYEING COMPOSITION WITH A BRIGHTENING EFFECT FOR HUMAN KERATINOUS FIBRES L'OREAL (FR) 2004-06-30 EP disclosed
WO-2003028685-A1 DYEING COMPOSITION WITH A BRIGHTENING EFFECT FOR HUMAN KERATINOUS FIBRES L'OREAL (FR) 2003-04-10 WO disclosed
WO-2003028684-A2 COMPOSITION CONTAINING A PYRAZINE DERIVATIVE AND THE USE THEREOF FOR THE DIRECT OR OXIDATION DYEING AND/OR OPTICAL BLEACHING OF KERATIN FIBRES L'OREAL (FR) 2003-04-10 WO disclosed
WO-1999040894-A1 USE OF A DIRECT DYEING AGENT DERIVED FROM ALIZARIN FOR DYEING KERATINOUS FIBRES, DYEING COMPOSITIONS CONTAINING SAME AND DYEING METHODS L'OREAL (FR) 1999-08-19 WO disclosed
WO-1999033436-A1 USE OF A POLYCYCLIC DIRECT COLOURING AGENT FOR DIRECT OR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS CONTAINING SAME AND DYEING METHODS L'OREAL (FR) 1999-07-08 WO disclosed
US-5037446-A 2-nitroaniline derivatives and hair dyeing compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 1991-08-06 US disclosed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP disclosed
US-4835314-A 2-nitroaniline derivatives WELLA AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 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 (4 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-11896700-B2 Process for treating keratin fibers using an anhydrous composition comprising a compound of azomethine type comprising two pyrazolopyridine units and an aqueous composition KRT18, DPYD, CKAP4 ALDH1A1 751/4885KDM4E 801/4885HCAR3 4204/4885
US-11000464-B2 Dyeing composition at acidic pH comprising a direct dye of triarylmethane structure KRT18, TYR, DSG1 ALDH1A1 393/4885KDM4E 1791/4885HCAR3 1210/4885
US-20230137804-A1 PROCESS FOR TREATING KERATIN FIBERS USING AN ANHYDROUS COMPOSITION COMPRISING A COMPOUND OF AZOMETHINE TYPE COMPRISING TWO PYRAZOLOPYRIDINE UNITS AND AN AQUEOUS COMPOSITION KRT18, DPYD, CKAP4 ALDH1A1 751/4885KDM4E 801/4885HCAR3 4204/4885
US-20200268629-A1 DYEING COMPOSITION AT ACIDIC PH COMPRISING A DIRECT DYE OF TRIARYLMETHANE STRUCTURE KRT18, TYR, DSG1 ALDH1A1 393/4885KDM4E 1791/4885HCAR3 1210/4885

“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.