SCHEMBL13043720

SCHEMBL13043720

CN(CCSS(=O)(=O)O)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ APP P05067 3/20 0.47
▸ VDR P11473 5/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ THRB P10828 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ RECQL P46063 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALPG P10696 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ NTSR1 P30989 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MMP14 P50281 1/20 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
SCHEMBL13908712 0.87 MAPT (0.53) MAPTAPPVDRMEN1KMT2A
SCHEMBL12869219 0.84 MAPT (0.45) MAPTAPPVDRMEN1KMT2A
SCHEMBL13043723 0.82 MAPT (0.47) MAPTAPPVDRMEN1KMT2A
SCHEMBL13043718 0.81 MAPT (0.57) MAPTAPPVDRMEN1KMT2A
SCHEMBL13043721 0.81 MAPT (0.54) MAPTAPPVDRMEN1KMT2A
Hydrochloric Acid SCHEMBL2401411 0.80 MAPT (0.56) MAPTAPPVDRMEN1KMT2A
Hydrochloric Acid SCHEMBL29363133 0.80 MAPT (0.56) MAPTAPPVDRMEN1KMT2A
Hydrochloric Acid SCHEMBL2323911 0.80 MAPT (0.56) MAPTAPPVDRMEN1KMT2A
SCHEMBL13069889 0.80 MAPT (0.57) MAPTAPPVDRMEN1KMT2A
SCHEMBL16997443 0.79 MAPT (0.55) MAPTAPPVDRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 — — EP disclosed
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7563289-B2 For coloring keratin fibers, human hair CIBA CORPORATION (US) 2009-07-21 — — US disclosed
US-20090113639-A1 THIOL DYES CIBA CORP. 2009-05-07 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — US disclosed
WO-2007039527-A2 THIOL DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-12 — — WO 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 MAPT 1174/4885APP 2475/4885VDR 3466/4885
US-20090113639-A1 THIOL DYES C9, C1S, C1R MAPT 3608/4885APP 1499/4885VDR 1302/4885

“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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