Bromide

Bromide

SCHEMBL27156296

Cc1ccc(C(=O)C[n+]2ccc(C(=O)OC(C)C)cc2)cc1.[Br-]

nearest known ligand 0.56

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
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
GAA P10253 1/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
RAB9A P51151 2/20 0.43

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 SCHEMBL27156297 0.88 USP2 (0.56) ALDH1A1KDM4EKMT2AMAPTLMNA
Bromide SCHEMBL27156300 0.88 HTT (0.56) ALDH1A1KDM4EKMT2AMAPTLMNA
Bromide SCHEMBL27156304 0.88 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2AMAPTLMNA
Bromide SCHEMBL27156299 0.87 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2AMAPTLMNA
Bromide SCHEMBL27156295 0.84 POLB (0.53) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL6057198 0.80 CA12 (0.70) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL26707030 0.76 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL20152437 0.76 CA12 (0.55) ALDH1A1KDM4EKMT2AMAPTLMNA
Bromide SCHEMBL3616347 0.76 KDM4E (0.70) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL17882017 0.75 PDCD1 (0.73) ALDH1A1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919860-B1 1-2(-(substituted phenyl)-2-oxoethyl)-4-(isopropoxycarbonyl)pyridin-1-ium bromides as anti-tubercular agents King Faisal University (SA) 2024-03-05 US claimed
US-11919860-B1 1-2(-(substituted phenyl)-2-oxoethyl)-4-(isopropoxycarbonyl)pyridin-1-ium bromides as anti-tubercular agents King Faisal University (SA) 2024-03-05 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-11919860-B1 1-2(-(substituted phenyl)-2-oxoethyl)-4-(isopropoxycarbonyl)pyridin-1-ium bromides as anti-tubercular agents PGM2, UMPS, POLM ALDH1A1 893/4885KDM4E 2879/4885KMT2A 4329/4885

“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.