SCHEMBL13294089

SCHEMBL13294089

CN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2CCSSCC[n+]2c(/C=C/c3ccc(N(C)C)cc3)n(C)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.42
▸ INSR P06213 10/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ BLM P54132 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ NCOA2 Q15596 2/20 0.42
▸ NCOA1 Q15788 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ THRB P10828 2/20 0.39

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
SCHEMBL3835370 1.00 RELA (0.42) RELAINSRRAB9ALMNAHTT
Bromide SCHEMBL3297144 0.99 INSR (0.41) RELAINSRRAB9ALMNAHTT
SCHEMBL15624250 0.96 INSR (0.42) RELAINSRRAB9ALMNAHTT
SCHEMBL13839773 0.88 INSR (0.34) RELAINSRRAB9ALMNAHTT
SCHEMBL13133372 0.79 RAB9A (0.57) RELAINSRRAB9ALMNAHTT
SCHEMBL3834682 0.76 RAB9A (0.40) RELAINSRRAB9ALMNAHTT
SCHEMBL3834687 0.76 RAB9A (0.40) RELAINSRRAB9ALMNAHTT
Sulfuric Acid Dimethyl Ester SCHEMBL3837602 0.70 MEN1 (0.41) INSRRAB9ALMNAHTTMEN1
SCHEMBL10104166 0.70 KDM4A (0.63) RELARAB9ALMNAHTTMEN1
SCHEMBL3834206 0.70 APOBEC3A (0.40) RAB9ALMNAHTTALDH1A1L3MBTL1

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-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 RELA 2052/4885INSR 4743/4885RAB9A 4381/4885

“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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