SCHEMBL10103992

SCHEMBL10103992

CCCCCCCCCSSCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.84
KDM2A Q9Y2K7 6/20 0.84
INSR P06213 3/20 0.52
CHKA P35790 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL13924729 1.00 KDM4A (0.84) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL16104223 1.00 KDM4A (0.84) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL13924758 0.97 KDM4A (0.80) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL10104442 0.95 KDM4A (0.74) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL10104197 0.95 KDM4A (0.74) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL10846534 0.92 KDM4A (1.00) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL13924756 0.92 KDM4A (1.00) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL21300082 0.92 KDM4A (1.00) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL10846148 0.92 KDM4A (1.00) KDM4AKDM2AINSRCHKACHRM2
SCHEMBL10845909 0.92 KDM4A (1.00) KDM4AKDM2AINSRCHKACHRM2

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 690/4885INSR 4664/4885

“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.