SCHEMBL109187

SCHEMBL109187

Nc1ccc(N)c([N+](=O)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 7/20 0.41
CYP3A4 P08684 4/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
GSK3B P49841 1/20 0.37
HASPIN Q8TF76 1/20 0.37
USP2 O75604 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
APP P05067 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL30078658 1.00 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL31288050 0.83 S1PR4 (0.44) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL2307443 0.83 S1PR4 (0.44) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL27723339 0.81 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL15530461 0.80 GABRP (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL1923229 0.79 BACE1 (0.37) ALDH1A1TDP1CYP3A4MAPTGSK3B
SCHEMBL1700862 0.79 NOS3 (0.48) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL1922830 0.79 TDP1 (0.41) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL17513283 0.79 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL6670410 0.76 LOXL2 (0.41) ALDH1A1TDP1CYP3A4ALOX15MEN1

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 1451 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414484-A1 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2023-12-28 US claimed
CN-117222397-A Granular hair dyeing composition 威娜德国有限责任公司 2023-12-12 CN claimed
EP-4247323-A2 GRANULATED HAIR DYE COMPOSITION Wella Germany GmbH (DE) 2023-09-27 EP claimed
WO-2022106628-A2 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2022-05-27 WO claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
US-20170258695-A1 KERATIN FIBRE DYEING COMPOSITION BEAUTY & BUSINESS S.P.A. (IT) 2017-09-14 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
EP-1733715-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and a heterocyclic direct dye OREAL (FR) 2010-01-27 EP claimed
US-7582121-B2 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2009-09-01 US claimed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 US claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 EP claimed
EP-0560406-B1 Process for the preparation of 2,5-diamino-6-nitro-pyridine derivatives and new 2,5-diamino-6-nitro-pyridine derivatives WELLA AG (DE) 1997-05-07 EP claimed
EP-0303878-B1 2,5-diamino-nitro-6-pyridine derivatives containing hair dyeing agents WELLA AG (DE) 1994-07-13 EP claimed
US-5145482-A Hair dye compositions based on 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1992-09-08 US claimed
US-4950302-A Process for the production of 2,5-diamino-6-nitro-pyridine derivatives, their use in hair dye compositions and new 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-08-21 US claimed
WO-1989001473-A2 PROCESS FOR MANUFACTURING 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES, THEIR USE IN HAIR DYES, AND NEW 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1989-02-23 WO claimed
EP-0303878-A2 2,5-diamino-nitro-6-pyridine derivatives containing hair dyeing agents Wella Aktiengesellschaft (DE) 1989-02-22 EP 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-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA ALDH1A1 152/4885TDP1 2312/4885CYP3A4 2797/4885
US-20230414484-A1 GRANULATED HAIR DYE COMPOSITION SHH, CUTA, DSG1 ALDH1A1 2333/4885TDP1 1893/4885CYP3A4 994/4885

“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.