Bromide

Bromide

SCHEMBL6130243

Cc1ccc(NCc2ccc[n+](C)c2)cc1O.[Br-]

nearest known ligand 0.50

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
▸ TUBB4A P04350 2/20 0.50
▸ TUBB P07437 2/20 0.50
▸ TUBA3C P0DPH7 2/20 0.50
▸ TUBA1B P68363 2/20 0.50
▸ TUBA4A P68366 2/20 0.50
▸ TUBB4B P68371 2/20 0.50
▸ TUBB3 Q13509 2/20 0.50
▸ TUBB2A Q13885 2/20 0.50
▸ TUBB8 Q3ZCM7 2/20 0.50
▸ TUBA3E Q6PEY2 2/20 0.50
▸ TUBA1A Q71U36 2/20 0.50
▸ TUBA1C Q9BQE3 2/20 0.50
▸ TUBB6 Q9BUF5 2/20 0.50
▸ TUBB2B Q9BVA1 2/20 0.50
▸ TUBB1 Q9H4B7 2/20 0.50
▸ MAPT P10636 6/20 0.43
▸ ARG1 P05089 1/20 0.43
▸ CYP2C19 P33261 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ NPC1 O15118 3/20 0.38

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
Hydrochloric Acid SCHEMBL6130295 0.97 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Iodide SCHEMBL6130228 0.97 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6130234 0.88 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6130226 0.83 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6130235 0.81 ARG1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6130211 0.81 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5713517 0.81 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6130246 0.79 ARG1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL6130248 0.79 ARG1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5713616 0.77 ARG1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333794-A4 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2005-08-10 — — EP disclosed
US-6806372-B1 NEW ORANGE COUPLERS FOR USE IN OXIDATIVE HAIR DYEING COMPOSITIONS AND SYSTEMS THE PROCTER & GAMBLE COMPANY 2004-10-19 — — US disclosed
EP-1333794-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-08-13 — — EP disclosed
US-6572665-B2 For use in hair coloring formulations CLAIROL INCORPORATED 2003-06-03 — — US disclosed
US-20020100126-A1 Novel coupler for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-08-01 — — US disclosed
WO-2002039969-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-05-23 — — 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-20020100126-A1 Novel coupler for use in oxidative hair dyeing CBR1, CBR3, PYCR1 TUBB4A 1544/4885TUBB 1661/4885TUBA3C 1971/4885

“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.

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