SCHEMBL10104078

SCHEMBL10104078

C[n+]1ccc(/C=C/c2ccc(N(CCSSCCN(Cc3ccccc3)c3ccc(/C=C/c4cc[n+](C)cc4)cc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALPG P10696 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C19 P33261 2/20 0.41
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL10104100 0.91 CHAT (0.44) CHATALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12215966 0.91 CHAT (0.46) CHATALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL10104085 0.88 RAB9A (0.43) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10104088 0.88 CHRM2 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL12215964 0.86 CHAT (0.49) CHATALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL17733971 0.85 CHAT (0.34) CHATALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL16070417 0.85 CHAT (0.34) CHATALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL10104091 0.84 CHAT (0.41) CHATALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL10104082 0.83 KMT2A (0.58) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL10104071 0.82 ALDH1A1 (0.51) CHATALDH1A1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 EP disclosed
EP-2781556-A1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'Oréal (FR) 2014-09-24 EP disclosed
EP-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 EP disclosed
US-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE L'OREAL (FR) 2014-02-06 US disclosed
US-8328880-B2 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'OREAL (FR) 2012-12-11 US disclosed
US-20120177587-A1 METHOD OF COLOURING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'ORéAL S.A. 2012-07-12 US disclosed
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 US disclosed
WO-2007110542-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL (FR) 2007-10-04 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 (3 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-20120177587-A1 METHOD OF COLOURING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 CHAT 2535/4885ALDH1A1 619/4885MAPT 721/4885
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG CHAT 1316/4885ALDH1A1 175/4885MAPT 960/4885
US-20140033450-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DEISULPHIDE DYE KRT18, DSG1, DSP CHAT 2515/4885ALDH1A1 626/4885MAPT 710/4885

“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.