SCHEMBL10104005

SCHEMBL10104005

Cn1c(N=Nc2ccc(NCCSSCCN)cc2)[n+](C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL12531427 0.95 MAPT (0.47) MAPTPKMMAPK1KMT2AKDM4E
SCHEMBL10104007 0.95 MAPT (0.47) MAPTPKMMAPK1KMT2AKDM4E
SCHEMBL20323027 0.82 MAPT (0.48) MAPTPKMMAPK1KMT2AKDM4E
SCHEMBL10104003 0.76
SCHEMBL10104464 0.76 ADRA2A (0.33) MAPT
SCHEMBL10104454 0.70 ADRA2A (0.34)
SCHEMBL12531421 0.70 MAPT (0.33) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL10104459 0.70 MAPT (0.33) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL20323030 0.70 RAB9A (0.57) MAPTPKMMAPK1KMT2AKDM4E
SCHEMBL12531404 0.70 MAPT (0.77) MAPTPKMMAPK1KMT2AKDM4E

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 3 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
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

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 MAPT 960/4885PKM 1180/4885MAPK1 1265/4885

“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.