Bromide

Bromide

SCHEMBL4137968

C/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1c(C)cccc1C.[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
POLB P06746 2/20 0.41
ATM Q13315 2/20 0.40
HSP90AA1 P07900 1/20 0.40
S1PR4 O95977 1/20 0.38
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
NPC1 O15118 1/20 0.35
CYP2C19 P33261 2/20 0.35

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 SCHEMBL4137969 1.00 POLB (0.41) POLBATMHSP90AA1S1PR4ALOX12
Bromide SCHEMBL4139679 0.81 KMT2A (0.49) LMNAMEN1KMT2A
Bromide SCHEMBL4139683 0.81 KMT2A (0.49) LMNAMEN1KMT2A
Bromide SCHEMBL4134861 0.80 MAPT (0.49) POLBATMALDH1A1L3MBTL1LMNA
Bromide SCHEMBL4134863 0.80 MAPT (0.49) POLBATMALDH1A1L3MBTL1LMNA
SCHEMBL5840134 0.73 ATM (0.39) POLBATMHSP90AA1ALOX12RECQL
SCHEMBL5840123 0.73 ATM (0.39) POLBATMHSP90AA1ALOX12RECQL
Bromide SCHEMBL4128852 0.71 EGFR (0.38) ALOX12ALDH1A1L3MBTL1LMNANPC1
Bromide SCHEMBL4128855 0.71 EGFR (0.38) ALOX12ALDH1A1L3MBTL1LMNANPC1
Bromide SCHEMBL18523399 0.70 TRPA1 (0.35) ALDH1A1CYP2C19MEN1CYP1A2KMT2A

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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 POLB 3801/4885ATM 4364/4885HSP90AA1 4089/4885

“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.