SCHEMBL13327489

SCHEMBL13327489

O=C(C[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1)NCCSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ACHE P22303 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4A O75164 4/20 0.32
KDM2A Q9Y2K7 4/20 0.32
HSP90AA1 P07900 1/20 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
Hydrochloric Acid SCHEMBL3291834 0.99 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13327482 0.92 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3813593 0.89 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3813597 0.89 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3294114 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19001503 0.87 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19649236 0.84 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104225 0.84 KDM4A (0.47) ALDH1A1KDM4AKDM2A
SCHEMBL13327529 0.84 MEN1 (0.40) ALDH1A1KDM4AKDM2A
SCHEMBL16281753 0.83

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-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 EP disclosed
EP-2070988-B1 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye ORÉAL L (FR) 2014-12-10 EP disclosed
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 EP disclosed
US-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 US disclosed
EP-2070988-A2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye L'Oréal (FR) 2009-06-17 EP disclosed
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 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-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA CHRM2 4632/4885CHRM4 4290/4885CHRM5 4379/4885

“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.