Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL3922124

Cn1c(-c2ccccc2)c(/N=N/c2sc([N+](=O)[O-])c[n+]2C)c2ccccc21.[Br-]

nearest known ligand 0.42

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
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ ALDH1A1 P00352 8/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 8/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MET P08581 1/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ ATM Q13315 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TSPO P30536 1/20 0.33

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 SCHEMBL3903488 1.00 RAB9A (0.42) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL5666727 0.99 RAB9A (0.43) RAB9ANPC1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3910912 0.98 NPC1 (0.42) RAB9ANPC1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3917427 0.98 NPC1 (0.42) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL3910401 0.93 RAB9A (0.40) RAB9ANPC1ALDH1A1LMNAMAPT
Bromide SCHEMBL3912106 0.88 LMNA (0.38) RAB9ANPC1ALDH1A1LMNAMAPT
Bromide SCHEMBL3906568 0.88 LMNA (0.38) RAB9ANPC1ALDH1A1LMNAMAPT
Bromide SCHEMBL3910950 0.87 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1LMNAMAPT
Bromide SCHEMBL3910946 0.87 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1LMNAMAPT
Bromide SCHEMBL4869013 0.86 RAB9A (0.44) RAB9ANPC1ALDH1A1LMNAMAPT

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 4 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
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 RAB9A 4591/4885NPC1 4603/4885ALDH1A1 89/4885
US-20080271264-A1 Indolylthiazoliumazo Dyes-Containing Colorants for Keratin Fibers KRT18, IK, TUBA4A RAB9A 3789/4885NPC1 4280/4885ALDH1A1 534/4885

“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.