SCHEMBL13043413

SCHEMBL13043413

C(=C/c1cc[n+](CSSC[n+]2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 5/20 0.52
▸ CHRNA7 P36544 1/20 0.45
▸ MAOB P27338 2/20 0.41
▸ NFE2L2 Q16236 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RELA Q04206 1/20 0.37

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
SCHEMBL13107389 0.82 CHAT (0.50) CHATCHRNA7MAOBNFE2L2CYP19A1
SCHEMBL13030887 0.77 CHAT (0.59) CHATCHRNA7MAOBNFE2L2CYP19A1
SCHEMBL20614628 0.75 CHAT (0.52) CHATCHRNA7MAOBNFE2L2CYP19A1
SCHEMBL10615942 0.72 KDM4A (0.57) CHATMEN1KMT2AMAPT
SCHEMBL10615946 0.72 KDM4A (0.57) CHATMEN1KMT2AMAPT
SCHEMBL13030888 0.71 CHAT (0.52) CHATCHRNA7MEN1KMT2ARAB9A
(Z)-1,2-Diphenylethene SCHEMBL9488275 0.71 MAOB (0.73) CHATMAOBNFE2L2CYP19A1MAOA
(Z)-1,2-Diphenylethene SCHEMBL21847984 0.71 MAOB (0.73) CHATMAOBNFE2L2CYP19A1MAOA
(Z)-1,2-Diphenylethene SCHEMBL347707 0.71 MAOB (0.73) CHATMAOBNFE2L2CYP19A1MAOA
(Z)-1,2-Diphenylethene SCHEMBL22712863 0.71 MAOB (0.73) CHATMAOBNFE2L2CYP19A1MAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7811335-B2 Hair dyes; deep dying; colorfast yet removable with an aqueous solution containing a reduction agent to disrupt the -S-S- bonds between the dye and the hair; quaternary pyridinium; disulfide; CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-12 — — US disclosed
US-20100000028-A1 Styryl sulfide dyes CIBA SPECIALTY CHEMICALS CORP. 2010-01-07 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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 (2 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA CHAT 359/4885CHRNA7 3509/4885MAOB 1448/4885
US-20100000028-A1 Styryl sulfide dyes C5, CBR3, C9 CHAT 255/4885CHRNA7 851/4885MAOB 491/4885

“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.

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