SCHEMBL7095920

SCHEMBL7095920

NCCNc1ccc(NCCO)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 4/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HTR6 P50406 1/20 0.53
KAT2B Q92831 5/20 0.52
PRSS1 P07477 4/20 0.51
PKM P14618 1/20 0.51
UBE2N P61088 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL29392416 0.93 ALDH1A1 (0.68) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL127370 0.93 ALDH1A1 (0.68) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL2471381 0.93 MAPT (0.60) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL7031913 0.87 ALDH1A1 (0.61) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
SCHEMBL8645124 0.87 ALDH1A1 (0.61) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
SCHEMBL9748805 0.84 ALDH1A1 (0.58) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL9776282 0.84 HCAR3 (0.58) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL8645160 0.84 ALDH1A1 (0.57) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
SCHEMBL2467529 0.83 HTT (0.57) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL7239404 0.83 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MAPTKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US disclosed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP disclosed
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 disclosed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP disclosed
US-5041143-A N,N'-disubstituted nitro-para-phenylenediamines, and dyeing compositions containing the same L'OREAL (FR) 1991-08-20 US disclosed
US-4910341-A Reacting chloroethyl chloroformate with 4-halo-3-nitroaniline in presence of a base; cyclization; alkaline hydrolysis L'OREAL (FR) 1990-03-20 US disclosed
US-4886517-A GOOD WATER SOLUBILITY L'OREAL (FR) 1989-12-12 US disclosed
US-4725283-A NITROBENZENE DIRECT DYES FOR HUMAN HAIR L'OREAL (FR) 1988-02-16 US disclosed
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 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 (1 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B ALDH1A1 87/4885TSHR 2949/4885TDP1 3522/4885

“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.