Bromide

Bromide

SCHEMBL4170067

C[N+](C)(CC#N)CCC[N+](C)(C)CC#N.[Br-].[Cl-]

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 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DNM1 Q05193 3/20 0.33
BBOX1 O75936 1/20 0.32
HSP90AA1 P07900 2/20 0.32
RAD52 P43351 2/20 0.32
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 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
Hydrochloric Acid SCHEMBL4612119 0.97 HTT (0.37) HTTSMN1; SMN2RAB9ALMNAMEN1
Bromide SCHEMBL4169087 0.90 HTT (0.50) HTTSMN1; SMN2RAB9ALMNAMEN1
SCHEMBL14039826 0.86 HTT (0.46) HTTSMN1; SMN2RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL4611856 0.86 ALDH1A1 (0.32) HTTSMN1; SMN2RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL5990314 0.83 DNM1 (0.35) HTTSMN1; SMN2RAB9ALMNAMEN1
SCHEMBL4253271 0.83 ALDH1A1 (0.33) HTTSMN1; SMN2RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL4660185 0.81 HTT (0.59) HTTSMN1; SMN2RAB9ALMNAMEN1
SCHEMBL10756971 0.80 DNM1 (0.37) HTTSMN1; SMN2RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL5989564 0.80 DNM1 (0.42) HTTSMN1; SMN2RAB9ALMNAMEN1
SCHEMBL3891425 0.78 HTT (0.61) HTTSMN1; SMN2RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023942-A1 Method for Producing Bi-Functional Ammonium Nitriles CLARIANT PRODUKTE (DEUTSCHALND) GMBH (DE) 2009-01-22 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 (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-20090023942-A1 Method for Producing Bi-Functional Ammonium Nitriles DBF4, AADAC, NAAA HTT 2536/4885SMN1; SMN2 4470/4885RAB9A 4188/4885

“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.