Bromide

Bromide

SCHEMBL970745

O=C=Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[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
SNCA P37840 2/20 0.41
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 2/20 0.33
APP P05067 1/20 0.32
ELANE P08246 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
FOLH1 Q04609 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR2 P34972 1/20 0.31
NOS2 P35228 1/20 0.30
EPHX1 P07099 1/20 0.30
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
SLC6A4 P31645 1/20 0.30

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 SCHEMBL8831479 0.83 MAOA (0.47) SNCAHIF1ACYP1A2MAOAMAOB
Bromide SCHEMBL6524406 0.78 SNCA (0.55) SNCAHIF1ACYP1A2APPMAOA
SCHEMBL15537590 0.77 ELANE (0.49) ELANEMAOAMAOBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4614799 0.76 ALDH1A1 (0.42) SNCAHIF1ACYP1A2APPMAOA
Hydrochloric Acid SCHEMBL5149449 0.74 SNCA (0.52) SNCAHIF1ACYP1A2APPMAOA
Hydrochloric Acid SCHEMBL9714709 0.72 SNCA (0.36) SNCAHIF1AAPPMAOAMAOB
Bromide SCHEMBL163158 0.72 SNCA (0.67) SNCAHIF1ACYP1A2APPMAOA
Hydrochloric Acid SCHEMBL9714580 0.71 MEN1 (0.35) SNCAMAOAMAOBALDH1A1KDM4E
Bromide SCHEMBL4175917 0.70 PNMT (0.50) SNCASLC6A2TAAR1SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL19371432 0.70 MAOA (0.55) SNCAHIF1AMAOAMAOBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA SNCA 1355/4885HIF1A 2105/4885CYP1A2 2892/4885

“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.