SCHEMBL3900839

SCHEMBL3900839

COS(=O)(=O)[O-].COc1c[n+](C)c(N=Nc2c(-c3ccccc3)n(C)c3ccccc23)s1

nearest known ligand 0.38

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
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 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
SCHEMBL3908553 0.93 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL3908554 0.93 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1RAB9ANPC1
Bromide SCHEMBL3897531 0.92 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL3912703 0.92 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1RAB9ANPC1
Bromide SCHEMBL3899754 0.92 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL3912706 0.92 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1RAB9ANPC1
SCHEMBL3899803 0.90 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL3901547 0.89 ALDH1A1 (0.37) ALDH1A1LMNAL3MBTL1CA12CA1
SCHEMBL3900770 0.89 IL1R1 (0.35) ALDH1A1LMNAL3MBTL1MAPTHTT
SCHEMBL3911869 0.88 CA12 (0.39) ALDH1A1LMNAL3MBTL1CA12CA1

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 18 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 claimed
EP-1716209-B1 USE OF COMPOSITION CONTAINING INDOLYL THIAZOLIUM AZO DYES FOR DYING KERATIN FIBERS WELLA AG (DE) 2009-03-25 EP claimed
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers Wella GmbH (DE) 2008-11-06 US claimed
US-7431741-B2 Brightening colorant with indolythiazolium dyes WELLA AG (DE) 2008-10-07 US claimed
US-20070180631-A1 Brightening colorant with indolythiazolium dyes Wella GmbH (DE) 2007-08-09 US claimed
EP-1730239-B1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AG (DE) 2007-05-02 EP claimed
EP-1716209-A1 COLORANT FOR KERATIN FIBRES, CONTAINING INDOLYL THIAZOLIUM AZO DYES Wella Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005079734-A1 COLORANT FOR KERATIN FIBRES, CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO claimed
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 ALDH1A1 89/4885LMNA 799/4885L3MBTL1 3924/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A ALDH1A1 534/4885LMNA 190/4885L3MBTL1 4607/4885

“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.