SCHEMBL4869188

SCHEMBL4869188

COS(=O)(=O)[O-].Cc1c(N=Nc2sc([N+](=O)[O-])c[n+]2C)c2ccccc2n1C

nearest known ligand 0.42

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
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MET P08581 2/20 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
MAPT P10636 6/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PSMD14 O00487 1/20 0.32
RAD52 P43351 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL3901728 0.93 RAB9A (0.45) RAB9ANPC1METCA12CA1
SCHEMBL3901723 0.93 RAB9A (0.45) RAB9ANPC1METCA12CA1
Hydrochloric Acid SCHEMBL4873202 0.92 RAB9A (0.44) RAB9ANPC1METCA12CA1
Hydrochloric Acid SCHEMBL4873207 0.92 RAB9A (0.44) RAB9ANPC1METCA12CA1
Bromide SCHEMBL4869009 0.92 RAB9A (0.44) RAB9ANPC1METCA12CA1
Bromide SCHEMBL4869013 0.92 RAB9A (0.44) RAB9ANPC1METCA12CA1
SCHEMBL3910401 0.88 RAB9A (0.40) RAB9ANPC1METCA12CA1
SCHEMBL4875526 0.87 CA12 (0.39) RAB9ANPC1CA12CA1CA2
SCHEMBL4863759 0.86 CA12 (0.38) RAB9ANPC1CA12CA1CA2
SCHEMBL4872461 0.85 CA12 (0.38) RAB9ANPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0761733-B1 Rubber compositions and pneumatic tires using the same BRIDGESTONE CORP (JP) 2007-05-09 EP claimed
EP-1730239-B1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AG (DE) 2007-05-02 EP claimed
EP-1730239-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES Wella Aktiengesellschaft (DE) 2006-12-13 EP claimed
WO-2005080507-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO claimed
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-0761733-B1 Rubber compositions and pneumatic tires using the same BRIDGESTONE CORP (JP) 2007-05-09 EP 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
WO-2005080507-A1 LIGHTENING COLORANT CONTAINING INDOLYL THIAZOLIUM AZO DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
US-5726237-A COMPOSITION OF A RUBBER AND CARBON BLACK HAVING LOW ROLLING RESISTANCE AND WET SKID RESISTANCE BRIDGESTONE CORPORATION (JP) 1998-03-10 US disclosed
EP-0761733-A2 Rubber compositions and pneumatic tires using the same Bridgestone Corporation (JP) 1997-03-12 EP 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 (1 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 RAB9A 4591/4885NPC1 4603/4885MET 3184/4885

“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.