SCHEMBL3912418

SCHEMBL3912418

CCn1c(-c2ccccc2)c(N=Nc2sc([N+](=O)[O-])c[n+]2C)c2ccccc21.COS(=O)(=O)[O-]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
CA1 P00915 4/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
AGTR1 P30556 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5720744 0.94 ALDH1A1 (0.41) CA12CA2CA9CA1ALDH1A1
Hydrochloric Acid SCHEMBL3912580 0.93 ALDH1A1 (0.40) CA12CA2CA9CA1ALDH1A1
Bromide SCHEMBL3910946 0.93 ALDH1A1 (0.40) CA12CA2CA9CA1ALDH1A1
Bromide SCHEMBL3910950 0.93 ALDH1A1 (0.40) CA12CA2CA9CA1ALDH1A1
Hydrochloric Acid SCHEMBL3901389 0.93 ALDH1A1 (0.40) CA12CA2CA9CA1ALDH1A1
SCHEMBL3910401 0.89 RAB9A (0.40) CA12CA2CA9CA1ALDH1A1
SCHEMBL3911869 0.88 CA12 (0.39) CA12CA2CA9CA1ALDH1A1
SCHEMBL3907795 0.88 CA12 (0.39) CA12CA2CA9CA1ALDH1A1
SCHEMBL3915411 0.88 CA12 (0.39) CA12CA2CA9CA1ALDH1A1
SCHEMBL3910313 0.87 LMNA (0.38) ALDH1A1MAPTNPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517368-B2 Indolylthiazoliumazo dyes-containing colorants for keratin fibers WELLA AG (DE) 2009-04-14 US disclosed
EP-1716209-B1 USE OF COMPOSITION CONTAINING INDOLYL THIAZOLIUM AZO DYES FOR DYING KERATIN FIBERS WELLA AG (DE) 2009-03-25 EP disclosed
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers Wella GmbH (DE) 2008-11-06 US disclosed
US-7431741-B2 Brightening colorant with indolythiazolium dyes WELLA AG (DE) 2008-10-07 US disclosed
US-20070180631-A1 Brightening colorant with indolythiazolium dyes Wella GmbH (DE) 2007-08-09 US disclosed
EP-1730239-B1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AG (DE) 2007-05-02 EP disclosed
EP-1730239-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES Wella Aktiengesellschaft (DE) 2006-12-13 EP disclosed
EP-1716209-A1 COLORANT FOR KERATIN FIBRES, CONTAINING INDOLYL THIAZOLIUM AZO DYES Wella Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005079734-A1 COLORANT FOR KERATIN FIBRES, CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
WO-2005080507-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 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-20070180631-A1 Brightening colorant with indolythiazolium dyes KRT18, TUBB1, IK CA12 2314/4885CA2 1068/4885CA9 2946/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A CA12 1092/4885CA2 2289/4885CA9 1785/4885

“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.