Bromide

Bromide

SCHEMBL1189112

Br.Nc1nnc2ccc(C(F)(F)F)cn12

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
SCN5A Q14524 7/20 0.49
PIM1 P11309 2/20 0.49
RET P07949 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49
ALK Q9UM73 1/20 0.49
USP7 Q93009 1/20 0.46
SRC P12931 1/20 0.42
GSK3A P49840 1/20 0.42
RBP4 P02753 2/20 0.38
TRPA1 O75762 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1189278 0.98 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL16154717 0.80 PIM1 (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL11918906 0.76 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL13687337 0.76 SCN5A (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL17681362 0.72 FGFR1 (0.58) SCN5APIM1RETFGFR1FLT1
SCHEMBL11914744 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL7699778 0.72 SCN5A (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL19658993 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL15898868 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A
SCHEMBL18365954 0.71 RBP4 (0.51) ALDH1A1SMN1; SMN2KDM4EHSD17B10SCN5A

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-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 EP disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
EP-2240486-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 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-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 ALDH1A1 2097/4885SMN1; SMN2 4840/4885KDM4E 3889/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 ALDH1A1 2229/4885SMN1; SMN2 4842/4885KDM4E 3850/4885

“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.