SCHEMBL9965014

SCHEMBL9965014

Cc1[nH]c2c(OCCNCCN3CCCC3)ccc(N)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL9964989 0.89 SMN1; SMN2 (0.47) SMN1; SMN2TDP1CYP2D6CYP2C19KDM4E
SCHEMBL9964980 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TDP1CYP2D6CYP2C19KDM4E
SCHEMBL9938294 0.81 NOS3 (0.42) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL9965024 0.80 KDM4E (0.38) SMN1; SMN2CYP2D6CYP2C19KDM4EMEN1
SCHEMBL18975382 0.80 KDM4E (0.43) SMN1; SMN2TDP1KDM4EMEN1KMT2A
SCHEMBL9964981 0.79 POLB (0.48) SMN1; SMN2POLBKITKDRFLT3
SCHEMBL9964983 0.79 LMNA (0.43) SMN1; SMN2TDP1CYP2D6KDM4EMEN1
SCHEMBL9965018 0.79 HTR1B (0.43) TDP1KDM4EMEN1KMT2APOLB
SCHEMBL9965008 0.76 SMN1; SMN2 (0.44) SMN1; SMN2TDP1CYP2D6CYP2C19KDM4E
SCHEMBL9964958 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TDP1CYP2D6CYP2C19KDM4E

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 17 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-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-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 (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 SMN1; SMN2 4183/4885TDP1 1390/4885CYP2D6 455/4885
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES KRT18, AADAT, KMO SMN1; SMN2 4219/4885TDP1 3890/4885CYP2D6 386/4885

“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.