SCHEMBL9964974

SCHEMBL9964974

CCc1c(C)[nH]c2c(C)ccc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 5/20 0.36
POLB P06746 1/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP4K1 Q92918 2/20 0.32
AHR P35869 1/20 0.32
DHFR P00374 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9937009 0.94 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19KDM4EPOLB
SCHEMBL6446157 0.85 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19KDM4EPOLB
SCHEMBL9964975 0.84 MAP4K1 (0.36) CYP1A2CYP3A4CYP2C19KDM4ENOS3
SCHEMBL9965015 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19KDM4EPOLB
SCHEMBL9964988 0.80 KDM4E (0.51) CYP1A2CYP3A4KDM4EPOLBMEN1
SCHEMBL9964971 0.80 HTT (0.30) HTT
SCHEMBL9964992 0.80 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19KDM4EPOLB
SCHEMBL9937543 0.79 MAP4K1 (0.33) CYP1A2CYP3A4CYP2C19KDM4EPOLB
SCHEMBL9964993 0.79 MAPT (0.40) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL9936869 0.77 AHR (0.44) CYP1A2CYP3A4CYP2C19KDM4EPOLB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
US-11013675-B2 Dye composition comprising a para-phenylenediamine oxidation base and a particular coupler L'OREAL (FR) 2021-05-25 US disclosed
US-20200108001-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A PARTICULAR COUPLER L'OREAL (FR) 2020-04-09 US disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
WO-2016097022-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A PARTICULAR COUPLER L'OREAL (FR) 2016-06-23 WO disclosed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US disclosed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US disclosed
US-9125834-B2 Dye composition comprising a heterocyclic oxidation base and a 4-aminoindole coupler L'OREAL (FR) 2015-09-08 US disclosed
US-9125834-B2 Dye composition comprising a heterocyclic oxidation base and a 4-aminoindole coupler L'OREAL (FR) 2015-09-08 US disclosed
US-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2014-09-18 US disclosed
US-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2014-09-18 US disclosed
US-8623100-B2 4-aminoindole derivatives and use thereof for the oxidation dyeing of keratin fibres L'OREAL (FR) 2014-01-07 US disclosed
US-8623100-B2 4-aminoindole derivatives and use thereof for the oxidation dyeing of keratin fibres L'OREAL (FR) 2014-01-07 US disclosed
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2013-10-10 US disclosed
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2013-10-10 US disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080288-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2012-06-21 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 (4 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-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER KRT18, NDUFS5, NDUFS3 CYP1A2 505/4885CYP3A4 508/4885CYP2C19 556/4885
US-20200108001-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A PARTICULAR COUPLER KRT18, DSG1, PYCR1 CYP1A2 572/4885CYP3A4 833/4885CYP2C19 1794/4885
US-11013675-B2 Dye composition comprising a para-phenylenediamine oxidation base and a particular coupler KRT18, DSG1, PYCR1 CYP1A2 572/4885CYP3A4 833/4885CYP2C19 1794/4885
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES KRT18, AADAT, KMO CYP1A2 282/4885CYP3A4 202/4885CYP2C19 654/4885

“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.