SCHEMBL10104559

SCHEMBL10104559

O=C(CC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1)NCCSSCCNC(=O)CC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 4/20 0.33
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL10104223 0.91 LMNA (0.33) NPY1RKMT2ARAD52RXFP1KDM4E
SCHEMBL14392874 0.89 NPY1R (0.34) NPY1RCHRM2CHRM4CHRM1CHRM3
SCHEMBL10104252 0.85 NPY1R (0.34) NPY1RCHRM2CHRM4CHRM1CHRM3
SCHEMBL10104165 0.83 KMT2A (0.39) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL14399338 0.81 MTNR1A (0.34) NPY1RCHRM2CHRM4CHRM1CHRM3
SCHEMBL10104215 0.79 KMT2A (0.36) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL15460029 0.79 KMT2A (0.36) KMT2ARAD52RXFP1KDM4EALDH1A1
SCHEMBL2315089 0.75 PTGS2 (0.45) KMT2AKDM4EALDH1A1MAPT
SCHEMBL2315084 0.75 PTGS2 (0.45) KMT2AKDM4EALDH1A1MAPT
SCHEMBL14392935 0.74 KMT2A (0.40) KMT2ARAD52RXFP1KDM4EALDH1A1

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 7 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-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-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
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 — — 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 (1 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-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 NPY1R 4253/4885CHRM2 4532/4885CHRM4 4159/4885

“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.

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