SCHEMBL1436027

SCHEMBL1436027

CCc1c(C)cn2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 13/20 0.40
KDM4E B2RXH2 12/20 0.40
HPGD P15428 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.34

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
SCHEMBL17484544 0.85 KDM4E (0.38) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL25024693 0.81 HRH3 (0.40) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL7167047 0.80 ALDH1A1 (0.40) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL7167022 0.80 TAAR1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7169382 0.79 HTR6 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7169393 0.79 KDM4E (0.35) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL7168520 0.78 TAAR1 (0.39) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL17481983 0.78 KDM4E (0.33) HRH3ALDH1A1KDM4EHPGDMEN1
SCHEMBL7167374 0.78 HTR6 (0.40)
SCHEMBL7444705 0.77 HRH3 (0.41) HRH3ALDH1A1KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US claimed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP claimed
EP-1844109-B1 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS PROCTER & GAMBLE (US) 2011-03-30 EP disclosed
CN-101107327-B Use of cationic azacyanine dyes for dyeing keratin fibres PROCTER & GAMBLE 2010-09-08 CN disclosed
CN-101107327-A Use of cationic azacyanine dyes for dyeing keratin fibres PROCTER & GAMBLE (US) 2008-01-16 CN disclosed
EP-1844109-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2007-10-17 EP disclosed
WO-2006081246-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US disclosed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP 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-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 HRH3 2380/4885ALDH1A1 897/4885KDM4E 1225/4885
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 HRH3 2380/4885ALDH1A1 897/4885KDM4E 1225/4885

“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.