Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL1597820

CCC[N+](C)(CC)c1ccccc1.[Br-]

nearest known ligand 0.41

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 3/20 0.37
▸ OPRM1 known ✓ P35372 1/20 0.34
▸ CHRM1 known ✓ P11229 2/20 0.34
▸ CHRM3 known ✓ P20309 2/20 0.34
▸ CHRM4 known ✓ P08173 1/20 0.34
▸ CHRM2 known ✓ P08172 1/20 0.33
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ DNM1 Q05193 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CHRNB2 P17787 2/20 0.34

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
SCHEMBL5309968 0.98 APOBEC3A (0.42) APOBEC3AAPOBEC3GDNM1ACHESMN1; SMN2
SCHEMBL5426429 0.91 APOBEC3A (0.48) APOBEC3AAPOBEC3GDNM1ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL11023673 0.89 APOBEC3A (0.46) APOBEC3AAPOBEC3GDNM1ACHESMN1; SMN2
SCHEMBL5436496 0.84 APOBEC3A (0.50) APOBEC3AAPOBEC3GDNM1ACHESMN1; SMN2
SCHEMBL28183012 0.83 DNM1 (0.44) APOBEC3AAPOBEC3GDNM1SMN1; SMN2MAPK1
Water SCHEMBL8385260 0.81 APOBEC3A (0.48) APOBEC3AAPOBEC3GDNM1ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL25415930 0.80 KMT2A (0.54) DNM1SMN1; SMN2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL31131360 0.80 KMT2A (0.54) DNM1SMN1; SMN2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL31131346 0.80 KMT2A (0.54) DNM1SMN1; SMN2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL31131358 0.80 KMT2A (0.54) DNM1SMN1; SMN2MAPK1MEN1KMT2A

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-20120232285-A1 Sulfonyl-1,2,4-triazole salts UNIVERSITE DE MONTREAL (CA) 2012-09-13 — — US disclosed
US-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts PHOSTECH LITHIUM INC. (CA) 2011-07-21 — — US disclosed
US-7919629-B2 Sulphonyl-1,2,4-triazole salts PHOSTECH LITHIUM INC. (CA) 2011-04-05 — — US disclosed
US-20090292105-A1 SULPHONYL-1,2,4-TRIAZOLE SALTS PHOSTECH LITHIUM INC. (CA) 2009-11-26 — — 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 (3 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-20110178306-A1 Sulphonyl-1,2,4-Triazole Salts TST, STS, SQOR ACHE 2938/4885OPRM1 4239/4885CHRM1 3015/4885
US-20090292105-A1 SULPHONYL-1,2,4-TRIAZOLE SALTS TST, STS, SQOR ACHE 2938/4885OPRM1 4239/4885CHRM1 3015/4885
US-20120232285-A1 Sulfonyl-1,2,4-triazole salts STS, TST, FIS1 ACHE 3007/4885OPRM1 4411/4885CHRM1 2258/4885

“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.