SCHEMBL4863759

SCHEMBL4863759

COS(=O)(=O)[O-].COc1c[n+](C)c(N=Nc2c(C)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
CA12 O43570 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA1 P00915 3/20 0.38
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 2/20 0.34
PSMD14 O00487 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL5171973 0.92 KMT2A (0.37) CA12CA2CA9CA1KMT2A
SCHEMBL5171967 0.92 KMT2A (0.37) CA12CA2CA9CA1KMT2A
Hydrochloric Acid SCHEMBL3900431 0.91 KMT2A (0.36) CA12CA2CA9CA1KMT2A
Bromide SCHEMBL4865920 0.91 KMT2A (0.36) CA12CA2CA9CA1KMT2A
Bromide SCHEMBL4865917 0.91 KMT2A (0.36) CA12CA2CA9CA1KMT2A
Hydrochloric Acid SCHEMBL3900426 0.91 KMT2A (0.36) CA12CA2CA9CA1KMT2A
SCHEMBL4875526 0.91 CA12 (0.39) CA12CA2CA9CA1LMNA
SCHEMBL4872461 0.89 CA12 (0.38) CA12CA2CA9CA1LMNA
SCHEMBL3900839 0.87 ALDH1A1 (0.38) CA12CA2CA9CA1LMNA
SCHEMBL4869188 0.86 RAB9A (0.42) CA12CA2CA9CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CA12 2314/4885CA2 1068/4885CA9 2946/4885

“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.