SCHEMBL6093795

SCHEMBL6093795

Nc1cc([N+](=O)[O-])c(NCCO)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 7/20 0.50
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.43
CYP3A4 P08684 2/20 0.43
RAB9A P51151 1/20 0.43
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42
KMT2A Q03164 2/20 0.42
PRSS1 P07477 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11096925 0.88 MAPT (0.60) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL8099339 0.86 MAPT (0.58) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL10889416 0.84 MAPT (0.56) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL29843484 0.83 MAPT (0.58) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL112262 0.83 MAPT (0.58) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL23909 0.82 MAPT (0.51) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL10537989 0.82 MAPT (0.55) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL10614428 0.82 MAPT (0.52) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL29378395 0.82 MAPT (0.51) MAPTALDH1A1TSHRTDP1PKM
SCHEMBL10758961 0.81 MAPT (0.54) MAPTALDH1A1TSHRPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 US disclosed
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed
EP-0688767-A1 5-mercapto-2-nitro paraphenylenediamine compounds and hair dye compositions containing same Bristol-Myers Squibb Company (US) 1995-12-27 EP disclosed
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed
US-4704474-A RED-TO-VIOLET DIRECT DYES WELLA AKTIENGESELLSCHAFT (DE) 1987-11-03 US disclosed
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 disclosed
EP-0203446-A1 Nitro-p-phenylene diamine derivatives, process for their preparation and hair dye compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-12-03 EP disclosed
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 disclosed
US-3973900-A AMINO NITRO BENZENES WELLA AG (DT) 1976-08-10 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK MAPT 666/4885ALDH1A1 36/4885TSHR 4859/4885

“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.