Bromide

Bromide

SCHEMBL1254064

Br.Nc1ncc(Br)cc1C=O

nearest known ligand 0.52

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
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 4/20 0.38
DYRK1A Q13627 2/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.36
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL124567 0.98 KMT2A (0.54) KMT2AHTTMEN1POLBMAPT
SCHEMBL30024828 0.98 KMT2A (0.54) KMT2AHTTMEN1POLBMAPT
SCHEMBL7934127 0.78 KMT2A (0.54) KMT2AHTTMEN1POLBMAPT
SCHEMBL15052994 0.77 TRIM24 (0.47) KMT2AHTTERN1DYRK1ATRIM24
SCHEMBL28518576 0.75 ERN1 (0.41) KMT2AHTTERN1DYRK1ATRIM24
SCHEMBL24609208 0.73 HTT (0.30) KMT2AHTT
SCHEMBL6856791 0.73 HTT (0.30) KMT2AHTT
SCHEMBL2214871 0.73 ERN1 (0.39) KMT2AHTTMEN1MAPTSMN1; SMN2
SCHEMBL17421095 0.73 ERN1 (0.39) KMT2AHTTMEN1SMN1; SMN2ERN1
SCHEMBL741314 0.73 ERN1 (0.39) KMT2AHTTERN1DYRK1ATRIM24

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004099-B1 TETRAHYDROPYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2023-04-19 EP disclosed
US-9321769-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2016-04-26 US disclosed
EP-3004099-A1 TETRAHYDROPYRIDINE DERIVATIVES AS FabI INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-04-13 EP disclosed
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2015-08-20 US disclosed
US-9062075-B2 Tetrahydropyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9051321-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2015-06-09 US disclosed
WO-2014195844-A1 TETRAHYDROPYRIDINE DERIVATIVES AS FabI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-12-11 WO disclosed
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2014-12-04 US disclosed
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
US-20140275019-A1 TETRAHYDROPYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-09-18 US disclosed
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy BERMAN JUDD 2011-05-26 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7790709-B2 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 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 (6 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-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR KMT2A 752/4885HTT 4455/4885MEN1 4372/4885
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS KMT2A 4479/4885HTT 18/4885MEN1 1175/4885
US-20110124633-A1 Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy NQO1, AADAC, SDHA KMT2A 3368/4885HTT 861/4885MEN1 969/4885
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS KMT2A 4479/4885HTT 18/4885MEN1 1175/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF KMT2A 4353/4885HTT 2878/4885MEN1 2222/4885
US-20140275019-A1 TETRAHYDROPYRIDINE DERIVATIVES AS FABI INHIBITORS FAR1, QDPR, DHFR KMT2A 2907/4885HTT 1881/4885MEN1 4402/4885

“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.