Bromide

Bromide

SCHEMBL3900404

C[n+]1cc(Br)sc1/N=N/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.[Br-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. 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
IL1R1 P14778 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
MAPK8 P45983 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3899699 0.99 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1
SCHEMBL3899702 0.99 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL3896062 0.98 IL1R1 (0.40) IL1R1L3MBTL1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL3896065 0.98 IL1R1 (0.40) IL1R1L3MBTL1KMT2AMAPTMEN1
SCHEMBL3910400 0.90 IL1R1 (0.35) IL1R1L3MBTL1KMT2AMAPTMEN1
Bromide SCHEMBL3904296 0.88 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1
Bromide SCHEMBL3904292 0.88 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1
Bromide SCHEMBL3903486 0.87 ALDH1A1 (0.40) L3MBTL1KMT2AMAPTALDH1A1HTT
Bromide SCHEMBL3912216 0.87 ALDH1A1 (0.40) L3MBTL1KMT2AMAPTALDH1A1HTT
SCHEMBL3901267 0.87 IL1R1 (0.41) IL1R1L3MBTL1KMT2AMAPTMEN1

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 9 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-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
US-7517368-B2 Indolylthiazoliumazo dyes-containing colorants for keratin fibers WELLA AG (DE) 2009-04-14 US 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

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 IL1R1 2719/4885L3MBTL1 3924/4885KMT2A 1177/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A IL1R1 4110/4885L3MBTL1 4607/4885KMT2A 1360/4885

“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.