Bromide

Bromide

SCHEMBL7124452

CCC[N+](CCC)(CCC)CC(O)COc1ccc(N)cc1N.[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
ACHE known ✓ P22303 1/20 0.32
GAA P10253 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7117957 0.99 GAA (0.51) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL7120505 0.87 GAA (0.50) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL7121033 0.86 KDM4E (0.42) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL7116591 0.83 GAA (0.50) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL11151986 0.81 GAA (0.53) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL7121032 0.79 GAA (0.46) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL7127271 0.78 GAA (0.43) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL9651420 0.78 CYP2C19 (0.63) GAAALDH1A1KDM4EMAPTUSP2
Hydrochloric Acid SCHEMBL11155467 0.78 GAA (0.54) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL6466132 0.77 ALDH1A1 (0.51) GAAALDH1A1KDM4EMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359888-A1 COUPLERS FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020144700-A1 Couplers for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-10 US disclosed
WO-2002058659-A1 COUPLERS FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-01 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-20020144700-A1 Couplers for oxidative coloration of hair CBR1, CBR3, MT-CO1 ACHE 4558/4885GAA 4787/4885ALDH1A1 37/4885

“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.