SCHEMBL10104136

SCHEMBL10104136

CC[n+]1ccc(/C=C/c2ccccc2N(C)CCC[N+](C)(C)CCCSSCCC[N+](C)(C)CCCN(C)c2ccccc2/C=C/c2cc[n+](CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CHAT P28329 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
KDM4A O75164 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31

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
SCHEMBL16070460 0.95 MEN1 (0.35) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL16104206 0.87
SCHEMBL10104140 0.85 RAB9A (0.44) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL1826838 0.84 CHRM2 (0.43) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL1826834 0.84 CHRM2 (0.43) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL10104137 0.82 MEN1 (0.38) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL15460024 0.82 CHRM2 (0.42) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL15334643 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL8678340 0.76 RAB9A (0.44) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL17733966 0.73 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8562693-B2 Method of dyeing and lightening keratin materials in the presence of a reducing agent comprising a fluorescent deisulphide dye L'OREAL (FR) 2013-10-22 US disclosed
US-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2013-03-28 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-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 US disclosed
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2009-12-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MEN1 3630/4885NPC1 4684/4885USP2 1556/4885
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 MEN1 3833/4885NPC1 4829/4885USP2 2451/4885
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 MEN1 3234/4885NPC1 4656/4885USP2 1104/4885
US-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 MEN1 3694/4885NPC1 4684/4885USP2 1400/4885
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 MEN1 3694/4885NPC1 4684/4885USP2 1400/4885

“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.