Bromide

Bromide

SCHEMBL2842948

Br.O=C1CCNc2ncc(Br)cc2CN1

nearest known ligand 0.40

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
NNMT P40261 4/20 0.40
MB P02144 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
PARP10 Q53GL7 2/20 0.36
PARP11 Q9NR21 1/20 0.36
GRM5 P41594 1/20 0.35
CRBN Q96SW2 1/20 0.33
PARP1 P09874 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL13320529 0.98 NNMT (0.41) NNMTMBASIC3PARP10PARP11
SCHEMBL1253776 0.84 MB (0.41) NNMTMBPARP10PARP11AURKA
SCHEMBL298258 0.80 NNMT (0.53) NNMTASIC3PARP10PARP11GRM5
SCHEMBL726724 0.76 ASIC3 (0.44) NNMTMBASIC3GRM5DYRK1A
SCHEMBL4098328 0.75 CRBN (0.37) NNMTMBPARP10PARP11CRBN
SCHEMBL15951381 0.74 MB (0.66) MBPARP10PARP11CRBNAURKA
SCHEMBL30507029 0.74 NNMT (0.55) NNMTASIC3PARP10PARP11GRM5
SCHEMBL1258438 0.74 NNMT (0.55) NNMTASIC3PARP10PARP11GRM5
SCHEMBL2842156 0.73 ASIC3 (0.42) NNMTMBASIC3GRM5KDR
SCHEMBL2843445 0.72 BRD4 (0.41) NNMTASIC3PARP10PARP11GRM5

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-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 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-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC NNMT 2932/4885MB 1888/4885ASIC3 429/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC NNMT 2932/4885MB 1888/4885ASIC3 429/4885

“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.