SCHEMBL9964979

SCHEMBL9964979

CCc1c(C)n(C)c2c(OC)ccc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.42
NQO2 P16083 4/20 0.42
ALDH1A1 P00352 8/20 0.35
CYP3A4 P08684 3/20 0.35
IDO1 P14902 1/20 0.34
GAA P10253 2/20 0.33
EP300 Q09472 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.31
S100B P04271 1/20 0.31

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
SCHEMBL9965004 0.87 MAPT (0.39) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9964973 0.82 PIK3CD (0.32) CYP19A1NQO2ALDH1A1CYP3A4IDO1
SCHEMBL9964978 0.81 CYP19A1 (0.46) CYP19A1NQO2ALDH1A1CYP3A4IDO1
SCHEMBL9965023 0.80 KDM5A (0.32)
SCHEMBL18975530 0.80 ESR1 (0.35) ALDH1A1GAAKMT2AALOX15HSD17B10
SCHEMBL9936780 0.76 KDM4E (0.32) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9964960 0.76
SCHEMBL9937151 0.75
SCHEMBL9965021 0.71 MEN1 (0.41) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9964961 0.70 MAPT (0.35) ALDH1A1GAAMAPTMEN1KMT2A

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 CYP19A1 974/4885NQO2 83/4885ALDH1A1 301/4885
US-20200108001-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A PARTICULAR COUPLER KRT18, DSG1, PYCR1 CYP19A1 1177/4885NQO2 1403/4885ALDH1A1 16/4885
US-11013675-B2 Dye composition comprising a para-phenylenediamine oxidation base and a particular coupler KRT18, DSG1, PYCR1 CYP19A1 1177/4885NQO2 1403/4885ALDH1A1 16/4885
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES KRT18, AADAT, KMO CYP19A1 673/4885NQO2 148/4885ALDH1A1 521/4885

“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.