SCHEMBL111665

SCHEMBL111665

Nc1cc(Cl)c(NCC(O)CO)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
GLA P06280 1/20 0.46
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
ADRB2 P07550 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.33
BCL6 P41182 1/20 0.33
BCOR Q6W2J9 1/20 0.33

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
SCHEMBL30100539 1.00 MAPT (0.54) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL1136820 0.88 MAPT (0.48) MAPTGLAALDH1A1MEN1KMT2A
SCHEMBL14395463 0.86 MAPT (0.56) MAPTALDH1A1CYP3A4ADRB2MEN1
SCHEMBL10716987 0.85 MAPT (0.48) MAPTGLAALDH1A1MEN1KMT2A
SCHEMBL10758961 0.84 MAPT (0.54) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL9686988 0.84 MAPT (0.54) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL109941 0.84 MAPT (0.58) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL8349564 0.82 MAPT (0.55) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL10756290 0.82 MAPT (0.48) MAPTGLAALDH1A1CYP3A4MEN1
SCHEMBL23909 0.81 MAPT (0.51) MAPTALDH1A1CYP3A4MEN1KMT2A

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 1060 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12383478-B2 Cosmetic product for dyeing keratin fibers KAO CORPORATION (JP) 2025-08-12 US claimed
US-12364660-B2 Granulated hair dye composition WELLA GERMANY GMBH (DE) 2025-07-22 US claimed
EP-3873407-B1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO KGAA (DE) 2025-04-09 EP claimed
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KAO CORPORATION (JP) 2024-12-26 US claimed
WO-2024246126-A1 DYEING PRODUCT FOR KERATIN FIBERS COMPRISING AMMONIUM SALTS KAO CORPORATION (JP) 2024-12-05 WO claimed
EP-4247323-B1 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2024-09-04 EP claimed
EP-4408376-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT Kao Corporation (JP) 2024-08-07 EP claimed
US-20240207158-A1 DYEING COMPOSITION COMPRISING DIRECT DYES KAO CORPORATION (JP) 2024-06-27 US claimed
US-20240197587-A1 COSMETIC PRODUCT FOR DYEING KERATIN FIBERS KAO CORPORATION (JP) 2024-06-20 US claimed
EP-4329710-A1 COSMETIC PRODUCT FOR DYEING KERATIN FIBERS Kao Corporation (JP) 2024-03-06 EP 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
US-4921504-A 4-(N-ethyl-N-2-hydroxyethyl)-amino-1-(2 hydroxyethyl)-amino-2-nitrobenzene and compositions for dyeing hair containing the same WELLA AKTIENGESELLSCHAFT (DE) 1990-05-01 US claimed
EP-0184061-B1 4-(N-ETHYL,N-2'-HYDROXYETHYL)-AMINO-1-(2\"-HYDROXYETHYL)-AMINO-2-NITROBENZENE AND HAIR DYEING AGENTS Wella Aktiengesellschaft (DE) 1988-12-14 EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO claimed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
EP-0226973-A2 4-Bis(2'-hydroxyethyl)amino-1-(3'-hydroxypropyl)amino-2-nitro-benzene, process for its preparation and means for dyeing hair Wella Aktiengesellschaft (DE) 1987-07-01 EP claimed
EP-0132568-B1 DERIVATIVES OF 1,4-DIAMINO-5-CHLORO-2-NITROBENZENE, PROCESS FOR THEIR PRODUCTION AND AGENTS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1987-01-28 EP claimed
EP-0184061-A1 4-(N-ethyl,N-2'-hydroxyethyl)-amino-1-(2\"-hydroxyethyl)-amino-2-nitrobenzene and hair dyeing agents Wella Aktiengesellschaft (DE) 1986-06-11 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
EP-0132568-A1 Derivatives of 1,4-diamino-5-chloro-2-nitrobenzene, process for their production and agents for dyeing hair Wella Aktiengesellschaft (DE) 1985-02-13 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 (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-12383478-B2 Cosmetic product for dyeing keratin fibers KRT18, H1-2, H1-0 MAPT 662/4885GLA 265/4885ALDH1A1 494/4885
US-20240423887-A1 COMPOSITION COMPRISING A DYE AND INORGANIC ALKALIZING AGENT KRT18, COL14A1, COL1A1 MAPT 496/4885GLA 56/4885ALDH1A1 2007/4885
US-20240197587-A1 COSMETIC PRODUCT FOR DYEING KERATIN FIBERS KRT18, H1-2, H1-0 MAPT 662/4885GLA 265/4885ALDH1A1 494/4885
US-20240207158-A1 DYEING COMPOSITION COMPRISING DIRECT DYES KRT18, IK, H1-3 MAPT 1196/4885GLA 808/4885ALDH1A1 685/4885
US-12364660-B2 Granulated hair dye composition SHH, CUTA, DSG1 MAPT 654/4885GLA 72/4885ALDH1A1 2333/4885

“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.