SCHEMBL9939129

SCHEMBL9939129

Cc1[nH]c2c(C(=O)O)ccc(N)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
CLCN2 P51788 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
BTK Q06187 13/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL9965016 0.87 BTK (0.49) BTKTECTXKBMXJAK3
SCHEMBL9965007 0.83 GAA (0.44) KMT2AKDM4EMEN1BTKALDH1A1
SCHEMBL17699667 0.80 ADRA2A (0.43) ADRA2ACLCN2KMT2AKDM4EMEN1
SCHEMBL29782657 0.80 ADRA2A (0.43) ADRA2ACLCN2KMT2AKDM4EMEN1
SCHEMBL18937037 0.76 KDM4E (0.46) KMT2AKDM4EMEN1BTKALDH1A1
SCHEMBL9936869 0.74 AHR (0.44) TDP1KMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9935733 0.73 AHR (0.42) TDP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL9964969 0.72 KDM4E (0.37) KMT2AKDM4EMEN1BTKALDH1A1
SCHEMBL18937041 0.71 KDM4E (0.47) KMT2AKDM4EMEN1BTKALDH1A1
SCHEMBL30340194 0.70 KDM4E (0.50) TDP1KMT2AKDM4EMEN1ALDH1A1

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 19 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
EP-2651516-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
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
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-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
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER 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 (2 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 ADRA2A 3185/4885CLCN2 2039/4885TDP1 1390/4885
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES KRT18, AADAT, KMO ADRA2A 1515/4885CLCN2 2764/4885TDP1 3890/4885

“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.