SCHEMBL4621087

SCHEMBL4621087

COc1c(N)cc(C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 2/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36

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 SCHEMBL5691780 0.97 ACHE (0.50) ACHEALDH1A1CYP3A4TSHRGAA
Hydrochloric Acid SCHEMBL4654892 0.97 ACHE (0.50) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL359079 0.87 ALDH1A1 (0.48) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL30475384 0.87 ALDH1A1 (0.48) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL3293652 0.84 CA2 (0.45) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL3294316 0.84 ACHE (0.43) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL16608098 0.80 ALDH1A1 (0.38) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL15933604 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4GAAKDM4EMAPT
SCHEMBL5177958 0.78 ACHE (0.40) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL11289339 0.76 ALDH1A1 (0.41) ACHEALDH1A1CYP3A4GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP claimed
US-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 US claimed
EP-0663814-B1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR OREAL (FR) 1999-04-28 EP claimed
EP-0663814-A1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR L'OREAL (FR) 1995-07-26 EP claimed
WO-1993010744-A2 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR L'OREAL (FR) 1993-06-10 WO claimed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP disclosed
EP-2950773-B1 DYE COMPOSITION USING AT LEAST ONE COUPLER OF META-PHENYLENEDIAMINE TYPE SUBSTITUTED IN POSITION 2 IN A MEDIUM COMPRISING A FATTY SUBSTANCE, PROCESSES AND DEVICE OREAL (FR) 2019-03-13 EP disclosed
US-9952173-B2 Lead ion sensors, methods of making and uses thereof TONGJI UNIVERSITY (CN) 2018-04-24 US disclosed
US-9585824-B2 Dye composition using at least one coupler of meta-phenylenediamine type substituted in position 2 in a medium comprising a fatty substance, processes and device L'OREAL (FR) 2017-03-07 US disclosed
US-9585824-B2 Dye composition using at least one coupler of meta-phenylenediamine type substituted in position 2 in a medium comprising a fatty substance, processes and device L'OREAL (FR) 2017-03-07 US disclosed
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
US-20070179311-A1 Divalent metal ion sensors and binders THE UNIVERSITY OF NORTH DAKOTA (US) 2007-08-02 US disclosed
US-20070179311-A1 Divalent metal ion sensors and binders THE UNIVERSITY OF NORTH DAKOTA (US) 2007-08-02 US disclosed
WO-2006124283-A1 BIS-AMINATION OF ARYL HALIDES BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-23 WO disclosed
US-20060258888-A1 Bis-Amination of Aryl Halides BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 US disclosed
US-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 US disclosed
EP-0663814-B1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR OREAL (FR) 1999-04-28 EP disclosed
EP-0663814-A1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR L'OREAL (FR) 1995-07-26 EP disclosed
WO-1993010744-A2 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR L'OREAL (FR) 1993-06-10 WO 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 (3 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-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT KRT18, VIM, SORD ACHE 535/4885ALDH1A1 1145/4885CYP3A4 517/4885
US-20060258888-A1 Bis-Amination of Aryl Halides ABL1, AOC2, AADAC ACHE 2223/4885ALDH1A1 86/4885CYP3A4 358/4885
US-20070179311-A1 Divalent metal ion sensors and binders TRPV2, TRPV6, TRPM6 ACHE 2870/4885ALDH1A1 2607/4885CYP3A4 4493/4885

“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.