Bromide

Bromide

SCHEMBL4097014

COc1cc2c(cc1OC)C(CCc1ccc(C(C)(C)C)cc1)=[N+](Cc1ccc(C(F)(F)F)cc1)CC2.[Br-]

nearest known ligand 0.49

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 4/20 0.43
COL1A1 P02452 1/20 0.49
P2RX7 Q99572 1/20 0.41
BCHE P06276 1/20 0.38
PREP P48147 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MTNR1B P49286 1/20 0.35
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
Hydrochloric Acid SCHEMBL4111743 0.98 COL1A1 (0.47) COL1A1ACHEP2RX7BCHEPREP
Hydrochloric Acid SCHEMBL4108590 0.88 ACHE (0.53) COL1A1ACHEP2RX7KMT2AKDM4E
Hydrochloric Acid SCHEMBL4097389 0.85 ACHE (0.46) COL1A1ACHEP2RX7KDM4EGLA
Hydrochloric Acid SCHEMBL4116311 0.85 ACHE (0.43) COL1A1ACHEP2RX7KDM4EGLA
Hydrochloric Acid SCHEMBL4114580 0.85 COL1A1 (0.41) COL1A1ACHEP2RX7BCHEPREP
SCHEMBL4772170 0.84 COL1A1 (0.45) COL1A1ACHEP2RX7BCHEPREP
Hydrochloric Acid SCHEMBL4116296 0.84 COL1A1 (0.43) COL1A1ACHEP2RX7BCHEPREP
SCHEMBL4770482 0.84 COL1A1 (0.45) COL1A1ACHEP2RX7BCHEPREP
SCHEMBL4770654 0.84 COL1A1 (0.45) COL1A1ACHEP2RX7BCHEPREP
SCHEMBL4768195 0.84 COL1A1 (0.45) COL1A1ACHEP2RX7BCHEPREP

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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives HANWHA CHEMICAL CORPORATION (KR) 2009-09-03 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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives KCNQ3, KCNQ1, KCNQ2 ACHE 984/4885COL1A1 4702/4885P2RX7 2386/4885

“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.