SCHEMBL10104464

SCHEMBL10104464

C[n+]1ccc(N=Nc2ccc(NCCSSCCN)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 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
SCHEMBL10104459 0.94 MAPT (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL12531421 0.94 MAPT (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL16070320 0.90 ADRA2A (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL10104454 0.88 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL13924741 0.86 PABPC1 (0.36)
SCHEMBL12861149 0.84 ADRA2A (0.36) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL10104003 0.81
SCHEMBL10104456 0.79 ADRA2A (0.35) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL10104005 0.76 MAPT (0.44) MAPT
SCHEMBL16070309 0.74

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
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-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
EP-2336248-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-22 EP disclosed
EP-2333018-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-15 EP disclosed
EP-2330160-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-08 EP disclosed
EP-1647580-B1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye. OREAL (FR) 2011-02-16 EP 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
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
US-7488354-B2 Dyeing composition comprising at least one disulphide dye and method of dyeing human keratin fibers using this dye L'OREAL S.A. (FR) 2009-02-10 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 ADRA2A 4212/4885ADRA2B 4146/4885ADRA2C 4216/4885

“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.