SCHEMBL13878902

SCHEMBL13878902

C(=C/c1ccccc1CSSC[n+]1ccccc1/C=C/c1ccccc1)\c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.41
▸ RAB9A P51151 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ APOBEC3A P31941 3/20 0.35
▸ APOBEC3G Q9HC16 3/20 0.35
▸ KDM4A O75164 2/20 0.35
▸ KDM2A Q9Y2K7 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ TRPA1 O75762 2/20 0.34
▸ NFE2L2 Q16236 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33

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
SCHEMBL13043411 0.86 RAB9A (0.48) CHATRAB9AMEN1KMT2ANPC1
SCHEMBL13107388 0.71 RAB9A (0.47) CHATRAB9AMEN1KMT2ANPC1
SCHEMBL7764476 0.66 NPC1 (0.47) CHATRAB9AMEN1KMT2ANPC1
Bromide SCHEMBL11547583 0.66 NPC1 (0.47) CHATRAB9AMEN1KMT2ANPC1
SCHEMBL19649257 0.64 RAB9A (0.45) CHATRAB9AMEN1KMT2ANPC1
SCHEMBL13043413 0.63 CHAT (0.52) CHATRAB9AMEN1KMT2AMAPT
SCHEMBL16105737 0.63 CHAT (0.62) CHATNPC1TRPA1NFE2L2PTGER4
SCHEMBL11357186 0.63 TRPA1 (0.55) CHATTRPA1NFE2L2KDM4EPTGER4
SCHEMBL20124829 0.63 NFE2L2 (0.50) CHATMEN1KMT2ATRPA1NFE2L2
SCHEMBL9452212 0.63 NFE2L2 (0.50) CHATMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA CHAT 359/4885RAB9A 4561/4885MEN1 4052/4885

“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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