SCHEMBL13294097

SCHEMBL13294097

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GFER P55789 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ INSR P06213 12/20 0.36
▸ GAA P10253 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ KDM4A O75164 2/20 0.32
▸ KDM2A Q9Y2K7 2/20 0.32
▸ RAD52 P43351 1/20 0.32

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
SCHEMBL13294191 0.89 MEN1 (0.30) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL10104040 0.80 MEN1 (0.58) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL14393542 0.78 MEN1 (0.46) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL10104048 0.76 RAB9A (0.47) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL10104036 0.76 KDM4A (0.45) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL13294086 0.75 MEN1 (0.36) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL13294090 0.75 MEN1 (0.39) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL10104041 0.75 KDM4A (0.47) MEN1KMT2AMAPTGFERALDH1A1
SCHEMBL13294083 0.75 INSR (0.69) MAPTHTTNPSR1INSRRAB9A
SCHEMBL12201178 0.74 MEN1 (0.54) MEN1KMT2AMAPTGFERALDH1A1

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 3463/4885KMT2A 2847/4885MAPT 764/4885

“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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