SCHEMBL2469878

SCHEMBL2469878

NCCNc1ccc([N+](=O)[O-])cc1OCCO

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
CYP19A1 P11511 10/20 0.51
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.45
KAT2B Q92831 1/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL29392721 0.91 TSHR (1.00) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL109798 0.91 TSHR (1.00) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL4824584 0.86 TSHR (0.77) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL4829755 0.85 TSHR (0.79) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL5175179 0.84 TSHR (0.87) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL56823 0.81 HTT (0.58) TSHRTDP1KMT2AALDH1A1KAT2B
SCHEMBL28546780 0.81 TSHR (0.76) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL6003638 0.80 TDP1 (0.73) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL14940857 0.79 TDP1 (0.78) TSHRTDP1CYP19A1KMT2AALDH1A1
SCHEMBL8751625 0.78 TDP1 (0.63) TSHRTDP1CYP19A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
EP-1437123-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2004-07-14 EP claimed
EP-0999823-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2004-06-16 EP claimed
US-6712861-B2 CATIONIC DIRECT DYE L'OREAL S.A. (FR) 2004-03-30 US claimed
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods L'OREAL S.A. (FR) 2003-05-08 US claimed
US-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL S.A. (FR) 2003-01-02 US claimed
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRAVTCHENKO SYLVAIN (FR) 2002-07-25 US claimed
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME RONDEAU CHRISTINE (FR) 2002-01-17 US claimed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP claimed
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP claimed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 WO claimed
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2023-05-04 US disclosed
CN-105828882-B Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2022-09-30 CN disclosed
US-11166896-B2 Process for dyeing and relaxing curls of keratin fibres, using reducing agents and hair dyes, and associated kit L'OREAL (FR) 2021-11-09 US disclosed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP disclosed
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP disclosed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 WO disclosed
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 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 (6 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-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, CYB5R3, TUBB6 TSHR 4611/4885TDP1 2708/4885CYP19A1 1230/4885
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 TSHR 4814/4885TDP1 1425/4885CYP19A1 795/4885
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE KRT18, TPM3, PRKDC TSHR 3326/4885TDP1 2755/4885CYP19A1 1995/4885
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 TSHR 4814/4885TDP1 1425/4885CYP19A1 795/4885
US-11166896-B2 Process for dyeing and relaxing curls of keratin fibres, using reducing agents and hair dyes, and associated kit KRT18, KIT, KLK5 TSHR 4015/4885TDP1 2152/4885CYP19A1 2511/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B TSHR 4711/4885TDP1 3040/4885CYP19A1 1854/4885

“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.