SCHEMBL2471333

SCHEMBL2471333

CC(N)Oc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
TDP1 Q9NUW8 6/20 0.54
ALDH1A1 P00352 7/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 3/20 0.50
CYP19A1 P11511 3/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27981311 0.89 TDP1 (0.66) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL3295088 0.88 HTT (0.67) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11024727 0.85 HTT (0.63) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL3295721 0.81 CYP19A1 (0.61) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL3296052 0.80 HTT (0.56) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11422412 0.80 HTT (0.60) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL222283 0.79 HTT (1.00) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL10939518 0.78 HTT (0.72) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL31297153 0.77 HTT (0.96) HTTTDP1ALDH1A1CYP3A4TSHR
Nitrogen SCHEMBL18840092 0.76 HTT (0.93) HTTTDP1ALDH1A1CYP3A4TSHR

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 29 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-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
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2023-05-04 US 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
WO-2021099510-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2021-05-27 WO disclosed
EP-3558462-B1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT OREAL (FR) 2021-01-20 EP disclosed
US-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit L'OREAL (FR) 2020-03-19 US disclosed
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME RONDEAU CHRISTINE (FR) 2002-01-17 US disclosed
US-5009880-A Mixture of an anionic and cationic polymer for shampoos, skin lotions, nail strengtheners and hair dyeing; improved fixing and anchoring; smoothness; gloss L'OREAL (FR) 1991-04-23 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 (7 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 2708/4885ALDH1A1 640/4885
US-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit KRT18, KIT, KLK5 HTT 1345/4885TDP1 2152/4885ALDH1A1 1653/4885
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 1425/4885ALDH1A1 60/4885
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE KRT18, TPM3, PRKDC HTT 1997/4885TDP1 2755/4885ALDH1A1 372/4885
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 1425/4885ALDH1A1 60/4885
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 2152/4885ALDH1A1 1653/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B HTT 1519/4885TDP1 3040/4885ALDH1A1 1091/4885

“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.