Bromide

Bromide

SCHEMBL6232497

[Br-].[Zn+]Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.58

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 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LTA4H P09960 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ TRPV6 Q9H1D0 1/20 0.44
▸ FDFT1 P37268 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44

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
SCHEMBL8896665 0.81 TSHR (0.55) KDM4EALDH1A1HTTTDP1HPGD
Bromide SCHEMBL30583587 0.81 BCHE (0.62) KDM4EALDH1A1MAOBMEN1KMT2A
SCHEMBL1301847 0.78 LOXL2 (0.58) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL1218850 0.78 KDM4E (0.50) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL81395 0.78 TTR (0.54) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL23312282 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL1352681 0.78 KDM4E (0.50) KDM4EALDH1A1HTTTDP1HPGD
SCHEMBL202774 0.78 ALDH1A1 (0.54) KDM4EALDH1A1HTTTDP1HPGD
Bromide SCHEMBL3939438 0.78 TAAR1 (0.58) ALDH1A1MAOB
SCHEMBL1329916 0.78 KDM4E (0.50) KDM4EALDH1A1HTTTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200922-C Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AG (DE) 2005-05-11 — — CN disclosed
EP-1358143-B1 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PESTICIDAL FLUOROOLEFIN COMPOUNDS BASF AG (DE) 2005-04-13 — — EP disclosed
US-6770788-B2 REACTING A SUBSTITUTED 1-BROMO-1-FLUORO-3-ARYL-1-PROPENE AN ARYLMETHYL ZINC COMPOUND IN THE PRESENCE OF A PALLADIUM CATALYST AND A SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 — — US disclosed
CN-1468206-A Process and intermediate compounds for preparing pesticidal fluoroolefin compounds �����ɷ� 2004-01-14 — — CN disclosed
EP-1358143-A2 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PESTICIDAL FLUOROOLEFIN COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 — — EP disclosed
US-20030135075-A1 Process and intermediate compounds for preparation of pesticidal fluoroolefin compounds WOOD WILLIAM WAKEFIELD (US) 2003-07-17 — — US disclosed
US-6495728-B2 ARALKYLATION OF A FLUOROBROMOOLEFIN WITH AN ARALKYLZINC BROMIDE OR BIS(ARALKYL)ZINC IN PRESENCE OF A PALLADIUM CATALYST; PREPARATION OF THE OLEFIN FROM AN ALDEHYDE AND CBR3F, A PHOSPHINE OR PHOSPHORAMIDE AND ZINC BASF AKTIENGESELLSCHAFT (DE) 2002-12-17 — — US disclosed
US-20020062049-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds BASF AKTIENGESELLSCHAFT 2002-05-23 — — US disclosed
WO-2002022538-A2 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PESTICIDAL FLUOROOLEFIN COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-03-21 — — 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 (2 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-20030135075-A1 Process and intermediate compounds for preparation of pesticidal fluoroolefin compounds DDT, AHR, CYP2F1 KDM4E 1766/4885ALDH1A1 309/4885HTT 2436/4885
US-20020062049-A1 Process and intermediate compounds for the preparation of pesticidal fluoroolefin compounds DDT, PFAS, CYP2F1 KDM4E 1506/4885ALDH1A1 132/4885HTT 2525/4885

“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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