SCHEMBL10104563

SCHEMBL10104563

CCCN(CCO)c1ccc(/C=C/c2cccc[n+]2CCSSCC[n+]2ccccc2/C=C/c2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.52
KDM2A Q9Y2K7 4/20 0.52
MEN1 O00255 5/20 0.48
RAB9A P51151 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APOBEC3A P31941 2/20 0.47
APOBEC3G Q9HC16 2/20 0.47
GFER P55789 1/20 0.47
APP P05067 3/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39

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
SCHEMBL10104240 0.94 MEN1 (0.48) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL12658264 0.88 MEN1 (0.49) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL18774389 0.88 MEN1 (0.44) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL19003852 0.85 MEN1 (0.52) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL18774393 0.85 MEN1 (0.41) KDM4AKDM2AMEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL18986841 0.84 MEN1 (0.51) KDM4AKDM2AMEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL18986839 0.84 MEN1 (0.51) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL10104073 0.83 KDM4A (0.50) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL14393846 0.82 KDM4A (0.49) KDM4AKDM2AMEN1RAB9AKMT2A
SCHEMBL12219545 0.82 MEN1 (0.49) KDM4AKDM2AMEN1RAB9AKMT2A

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 2 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-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 (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 KDM4A 626/4885KDM2A 690/4885MEN1 3833/4885

“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.