SCHEMBL13043411

SCHEMBL13043411

C(=C/c1cccc[n+]1CSSC[n+]1ccccc1/C=C/c1ccccc1)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CHAT P28329 4/20 0.46
▸ KDM4A O75164 2/20 0.43
▸ KDM2A Q9Y2K7 2/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ CHRNA7 P36544 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ NFE2L2 Q16236 1/20 0.35

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
SCHEMBL13878902 0.86 CHAT (0.41) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL13107388 0.83 RAB9A (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
Bromide SCHEMBL11547583 0.77 NPC1 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7764476 0.77 NPC1 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL19649160 0.77 MEN1 (0.63) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL19649257 0.74 RAB9A (0.45) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL19648998 0.74 KDM4A (0.38) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL13043413 0.73 CHAT (0.52) RAB9AMEN1KMT2AMAPTCHAT
SCHEMBL4712807 0.69 RAB9A (0.67) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4712805 0.69 RAB9A (0.67) RAB9ANPC1MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7811335-B2 Hair dyes; deep dying; colorfast yet removable with an aqueous solution containing a reduction agent to disrupt the -S-S- bonds between the dye and the hair; quaternary pyridinium; disulfide; CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-12 — — US disclosed
US-20100000028-A1 Styryl sulfide dyes CIBA SPECIALTY CHEMICALS CORP. 2010-01-07 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — US 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 (2 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA RAB9A 4561/4885NPC1 4813/4885MEN1 4052/4885
US-20100000028-A1 Styryl sulfide dyes C5, CBR3, C9 RAB9A 2951/4885NPC1 3855/4885MEN1 1985/4885

“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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