SCHEMBL109941

SCHEMBL109941

Cc1cc(N)c([N+](=O)[O-])cc1NCC(O)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.42
AR P10275 2/20 0.40
VDR P11473 2/20 0.40
ADRB2 P07550 1/20 0.40
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8349564 0.85 MAPT (0.55) MAPTGLAALDH1A1ARVDR
SCHEMBL9686988 0.84 MAPT (0.54) MAPTGLAALDH1A1ADRB2TSHR
SCHEMBL111665 0.84 MAPT (0.54) MAPTGLAALDH1A1ADRB2TSHR
SCHEMBL30100539 0.84 MAPT (0.54) MAPTGLAALDH1A1ADRB2TSHR
SCHEMBL10617199 0.82 MAPT (0.48) MAPTGLAALDH1A1ARVDR
SCHEMBL29391950 0.81 MAPT (0.52) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL111935 0.81 MAPT (0.52) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL21810594 0.80 MAPT (0.52) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL11054352 0.79 MAPT (0.49) MAPTALDH1A1TSHRCYP3A4RECQL
SCHEMBL11059627 0.78 MAPT (0.50) MAPTALDH1A1LMNA

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 184 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
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-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2023-05-04 US disclosed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP disclosed
EP-0044201-B1 2-CHLORO-4-TRIFLUOROMETHYL-THIAZOLECARBOTHIOIC ACIDS USEFUL AS HERBICIDAL SAFENERS MONSANTO COMPANY (US) 1984-09-26 EP disclosed
EP-0044201-A1 2-Chloro-4-trifluoromethyl-thiazolecarbothioic acids useful as herbicidal safeners MONSANTO COMPANY (US) 1982-01-20 EP 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 (5 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 MAPT 834/4885GLA 1151/4885ALDH1A1 640/4885
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 MAPT 559/4885GLA 573/4885ALDH1A1 60/4885
US-20230139146-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE KRT18, TPM3, PRKDC MAPT 904/4885GLA 1282/4885ALDH1A1 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 MAPT 559/4885GLA 573/4885ALDH1A1 60/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B MAPT 522/4885GLA 1147/4885ALDH1A1 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.