SCHEMBL2471335

SCHEMBL2471335

NCCOc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
TDP1 Q9NUW8 5/20 0.50
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
CYP19A1 P11511 6/20 0.45
S1PR4 O95977 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL11143568 0.98 HTT (0.58) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL11216634 0.91 HTT (0.66) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL11220987 0.90 HTT (0.64) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL11220203 0.90 HTT (0.64) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL9518917 0.87 HTT (0.60) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL3294199 0.85 HTT (0.63) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL8751625 0.85 TDP1 (0.63) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL27526318 0.85 HTT (0.58) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL11207231 0.84 HTT (0.66) HTTTDP1CYP3A4ALDH1A1TSHR
SCHEMBL11421091 0.84 HTT (0.66) HTTTDP1CYP3A4ALDH1A1TSHR

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 42 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
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 US disclosed
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 US disclosed
US-4445521-A ANIONIC AND CATIONIC POLYMER COMBINATION L'OREAL (FR) 1984-05-01 US disclosed
US-4240450-A HAIR CONDITIONER OF ANIONIC POLYMERS AND CATIONIC POLYMERS L'OREAL (FR) 1980-12-23 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 HTT 1567/4885TDP1 2708/4885CYP3A4 831/4885
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 HTT 2648/4885TDP1 1425/4885CYP3A4 497/4885
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE KRT18, TPM3, PRKDC HTT 1997/4885TDP1 2755/4885CYP3A4 549/4885
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 HTT 2648/4885TDP1 1425/4885CYP3A4 497/4885
US-11166896-B2 Process for dyeing and relaxing curls of keratin fibres, using reducing agents and hair dyes, and associated kit KRT18, KIT, KLK5 HTT 1345/4885TDP1 2152/4885CYP3A4 3505/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B HTT 1519/4885TDP1 3040/4885CYP3A4 1899/4885

“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.