Bromide

Bromide

SCHEMBL3899754

COc1c[n+](C)c(/N=N/c2c(-c3ccccc3)n(C)c3ccccc23)s1.[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 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 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
Bromide SCHEMBL3897531 1.00 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
SCHEMBL3908553 0.99 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
SCHEMBL3908554 0.99 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
Hydrochloric Acid SCHEMBL3912703 0.98 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
Hydrochloric Acid SCHEMBL3912706 0.98 L3MBTL1 (0.40) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
SCHEMBL3900839 0.92 ALDH1A1 (0.38) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
Bromide SCHEMBL3910310 0.87 IL1R1 (0.39) L3MBTL1ALDH1A1LMNAMAPTKDM4E
Bromide SCHEMBL3911037 0.87 IL1R1 (0.39) L3MBTL1ALDH1A1LMNAMAPTKDM4E
Bromide SCHEMBL3901719 0.86 ALDH1A1 (0.41) L3MBTL1ALDH1A1LMNAMAPTHSD17B10
Bromide SCHEMBL3901716 0.86 ALDH1A1 (0.41) L3MBTL1ALDH1A1LMNAMAPTHSD17B10

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 L3MBTL1 3924/4885ALDH1A1 89/4885LMNA 799/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A L3MBTL1 4607/4885ALDH1A1 534/4885LMNA 190/4885

“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.