SCHEMBL3834682

SCHEMBL3834682

CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ INSR P06213 3/20 0.37
▸ BCHE P06276 4/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ ACHE P22303 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ PKM P14618 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ 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
SCHEMBL3834687 1.00 RAB9A (0.40) RAB9AHTTLMNAKDM4EMEN1
Sulfuric Acid Dimethyl Ester SCHEMBL3837602 0.92 MEN1 (0.41) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL13839743 0.89 KDM4E (0.47) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL3838343 0.88 MEN1 (0.39) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL3838342 0.88 MEN1 (0.39) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL13294096 0.87 MEN1 (0.42) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL3835590 0.87 RAB9A (0.41) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL3837492 0.87 RAB9A (0.41) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL3291882 0.87 KMT2A (0.46) RAB9AHTTLMNAKDM4EMEN1
SCHEMBL3291880 0.87 MEN1 (0.41) RAB9AHTTLMNAKDM4EMEN1

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 5 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
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
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — 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 RAB9A 4381/4885HTT 1117/4885LMNA 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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