Bromide

Bromide

SCHEMBL27219448

FC(F)(F)COc1ccc([Mg+])cc1.[Br-]

nearest known ligand 0.45

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 7/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ PAX8 Q06710 2/20 0.42
▸ GPR3 P46089 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ S1PR4 O95977 1/20 0.39

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
SCHEMBL498377 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL18380932 0.79 SCN5A (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4800915 0.77 MAPT (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1710060 0.76 NPC1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1119471 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2259946 0.76 CA12 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9458453 0.76 APP (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7026279 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2037249 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9682 0.76 MAPT (0.63) ALDH1A1MAPTKDM4EMEN1KMT2A

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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 — — US disclosed
WO-2022196734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK株式会社 2022-09-22 — — 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 ALDH1A1 3844/4885MAPT 3105/4885KDM4E 4028/4885

“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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