SCHEMBL9965019

SCHEMBL9965019

CN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
NOS2 P35228 3/20 0.46
HTR1B P28222 2/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
P2RY12 Q9H244 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9965020 0.89 LMNA (0.45) NOS3NOS1NOS2HTR1BHTR1A
SCHEMBL9964987 0.88 SMN1; SMN2 (0.46) NOS3NOS1NOS2LTA4HKDM4E
SCHEMBL9964986 0.86 BRD4 (0.49) BRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9964985 0.78 MAPT (0.46) NOS3NOS1MEN1KMT2AALDH1A1
SCHEMBL9964998 0.77 EHMT2 (0.36) NOS3NOS1NOS2LTA4HSMN1; SMN2
SCHEMBL9970790 0.76 ASH1L (0.38) NOS2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9938294 0.75 NOS3 (0.42) NOS3NOS1NOS2HTR1BMEN1
SCHEMBL9936724 0.75 ASH1L (0.41) MEN1KMT2AALDH1A1TDP1
SCHEMBL9964964 0.74 ROCK2 (0.44) NOS3NOS1NOS2HTR1BKDM4E
SCHEMBL9970789 0.74 HTR1B (0.41) HTR1BHTR1AHTR1DALDH1A1KDM4E

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-2012080288-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES 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-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 NOS3 1694/4885NOS1 2074/4885NOS2 2143/4885
US-20130263390-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES KRT18, AADAT, KMO NOS3 1126/4885NOS1 1541/4885NOS2 1436/4885

“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.