SCHEMBL3898673

SCHEMBL3898673

CCN(CC)c1c[n+](C)c(N=Nc2c(-c3ccccc3)n(C)c3ccccc23)s1.COS(=O)(=O)[O-]

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 5/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2C19 P33261 1/20 0.32

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
Bromide SCHEMBL3910647 0.91 ALDH1A1 (0.37) LMNAALDH1A1MAPTNPC1RAB9A
Bromide SCHEMBL3910653 0.91 ALDH1A1 (0.37) LMNAALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL3912142 0.91 ALDH1A1 (0.37) LMNAALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL3912146 0.91 ALDH1A1 (0.37) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL3912416 0.90 CA12 (0.37) LMNAALDH1A1CA12CA2CA9
SCHEMBL3922900 0.90 IL1R1 (0.35) LMNAALDH1A1MAPTL3MBTL1HTT
SCHEMBL4865987 0.88 ALDH1A1 (0.35) LMNAALDH1A1CA12CA2CA9
SCHEMBL3899803 0.85 ALDH1A1 (0.38) LMNAALDH1A1CA12CA2CA9
SCHEMBL3900839 0.85 ALDH1A1 (0.38) LMNAALDH1A1CA12CA2CA9
SCHEMBL3901547 0.84 ALDH1A1 (0.37) LMNAALDH1A1CA12CA2CA9

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-2005080507-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
WO-2005079734-A1 COLORANT FOR KERATIN FIBRES, 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 LMNA 799/4885ALDH1A1 89/4885CA12 2314/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A LMNA 190/4885ALDH1A1 534/4885CA12 1092/4885

“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.