SCHEMBL13294191

SCHEMBL13294191

CN(CCSSCCN(C)c1ccc(/C=C/c2scc[n+]2C)cc1)c1ccc(/C=C/c2nccs2)cc1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALPG P10696 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ INSR P06213 1/20 0.30

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
SCHEMBL13294097 0.89 MEN1 (0.37) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL10104040 0.71 MEN1 (0.58) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL14393542 0.69 MEN1 (0.46) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL10104048 0.68 RAB9A (0.47) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL10104036 0.67 KDM4A (0.45) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL13294090 0.67 MEN1 (0.39) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL13294086 0.67 MEN1 (0.36) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL10104041 0.67 KDM4A (0.47) MEN1ALDH1A1LMNAMAPTALPG
SCHEMBL13294083 0.67 INSR (0.69) MAPTHTTNPSR1INSR
SCHEMBL12657271 0.67 MEN1 (0.44) MEN1ALDH1A1LMNAMAPTALPG

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-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 — — US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 — — US disclosed
EP-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 — — 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-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST MEN1 3463/4885ALDH1A1 332/4885LMNA 1772/4885

“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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