SCHEMBL13294082

SCHEMBL13294082

CN(CCSSCCN(C)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2oc3ccccc3[n+]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ APP P05067 3/20 0.38
▸ INSR P06213 3/20 0.38
▸ BCHE P06276 4/20 0.37
▸ POLB P06746 4/20 0.37
▸ HTT P42858 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ ACHE P22303 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ PKM P14618 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ RAD52 P43351 2/20 0.36

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
SCHEMBL13294190 0.86 KMT2A (0.49) MEN1KMT2AAPPINSRBCHE
SCHEMBL13294106 0.86 MEN1 (0.42) MEN1KMT2AAPPINSRBCHE
Iodide SCHEMBL3292999 0.85 KMT2A (0.51) MEN1KMT2AAPPINSRBCHE
SCHEMBL5676078 0.82 APP (0.55) MEN1KMT2AAPPINSRBCHE
SCHEMBL5676080 0.82 APP (0.55) MEN1KMT2AAPPINSRBCHE
SCHEMBL13294107 0.82 MEN1 (0.35) MEN1KMT2AAPPINSRBCHE
Iodide SCHEMBL5675163 0.81 HTT (0.54) MEN1KMT2AAPPINSRBCHE
Iodide SCHEMBL5675165 0.81 HTT (0.54) MEN1KMT2AAPPINSRBCHE
Perchlorate SCHEMBL591992 0.78 KMT2A (0.56) MEN1KMT2AAPPINSRBCHE
Perchlorate SCHEMBL591993 0.78 KMT2A (0.56) MEN1KMT2AAPPINSRBCHE

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 2847/4885APP 538/4885

“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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