SCHEMBL3910313

SCHEMBL3910313

COS(=O)(=O)[O-].C[n+]1cc([N+](=O)[O-])sc1N=Nc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12

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 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
IL1R1 P14778 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.30

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 SCHEMBL3912106 0.93 LMNA (0.38) LMNAPKMIL1R1NPC1RAB9A
Hydrochloric Acid SCHEMBL3912486 0.93 LMNA (0.38) LMNAPKMIL1R1NPC1RAB9A
Hydrochloric Acid SCHEMBL3901662 0.93 LMNA (0.38) LMNAPKMIL1R1NPC1RAB9A
Bromide SCHEMBL3906568 0.93 LMNA (0.38) LMNAPKMIL1R1NPC1RAB9A
SCHEMBL3910401 0.89 RAB9A (0.40) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL3900770 0.87 IL1R1 (0.35) LMNAPKMIL1R1ALDH1A1MEN1
SCHEMBL3902897 0.87 IL1R1 (0.35) LMNAPKMIL1R1ALDH1A1MEN1
SCHEMBL3912418 0.87 CA12 (0.37) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL3910400 0.86 IL1R1 (0.35) LMNAPKMIL1R1ALDH1A1MEN1
SCHEMBL3922900 0.83 IL1R1 (0.35) LMNAPKMIL1R1ALDH1A1MEN1

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 LMNA 799/4885PKM 1590/4885IL1R1 2719/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A LMNA 190/4885PKM 1036/4885IL1R1 4110/4885

“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.