Bromide

Bromide

SCHEMBL973293

O=C(O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1F.[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
SNCA P37840 2/20 0.49
RXRA P19793 3/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
SRD5A2 P31213 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
CXCR3 P49682 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
HNF4A P41235 1/20 0.37
KMT2A Q03164 1/20 0.37

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 SCHEMBL8015170 0.82 SNCA (0.51) SNCACYP1A2CYP2C19ALDH1A1CYP2D6
Bromide SCHEMBL30721146 0.82 SNCA (0.51) SNCACYP1A2CYP2C19ALDH1A1CYP2D6
Bromide SCHEMBL10655438 0.80 SNCA (0.47) SNCAALDH1A1HNF4AKMT2A
Bromide SCHEMBL1346296 0.78 SNCA (0.47) SNCACYP1A2CYP2C19ALDH1A1CYP2D6
Bromide SCHEMBL1508860 0.78 SNCA (0.47) SNCACXCR3
Bromide SCHEMBL10655444 0.77 MRGPRX4 (0.45) SNCACYP1A2CYP2C19ALDH1A1CYP2D6
Bromide SCHEMBL6457063 0.76 SNCA (0.49) SNCACYP1A2CYP2C19ALDH1A1CYP2D6
Bromide SCHEMBL10656677 0.76 DTYMK (0.48) SNCAALDH1A1TSHRKMT2A
Bromide SCHEMBL975124 0.75 ALDH1A1 (0.39) SNCACYP1A2CYP2C19ALDH1A1CYP2D6
Bromide SCHEMBL5626209 0.75 SNCA (0.71) SNCASRD5A2CYP1A2CYP2C19ALDH1A1

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
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2650287-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-12-03 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 1355/4885RXRA 192/4885RXRB 256/4885

“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.