Bromide

Bromide

SCHEMBL940477

Br.N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccccc1

nearest known ligand 0.97

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
SLC5A2 P31639 3/20 0.97
LMNA P02545 10/20 0.95
HTT P42858 5/20 0.95
ALOX15 P16050 2/20 0.95
HSD17B10 Q99714 1/20 0.95
KMT2A Q03164 6/20 0.82
NPSR1 Q6W5P4 6/20 0.82
SMN1; SMN2 Q16637 6/20 0.82
TSHR P16473 5/20 0.82
MEN1 O00255 4/20 0.82
MAPK1 P28482 3/20 0.82
GPR55 Q9Y2T6 1/20 0.82
MITF O75030 1/20 0.82
OPRM1 P35372 2/20 0.80
OPRD1 P41143 2/20 0.80
GAA P10253 2/20 0.76
THRB P10828 1/20 0.71
MAPT P10636 2/20 0.69
IDE P14735 1/20 0.65
XBP1 P17861 1/20 0.65

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
SCHEMBL2496455 0.99 SLC5A2 (1.00) SLC5A2LMNAHTTALOX15HSD17B10
Hydrochloric Acid SCHEMBL29445223 0.97 LMNA (1.00) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2474484 0.91 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL14847726 0.91 SLC5A2 (0.86) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2496035 0.91 LMNA (0.89) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2494794 0.91 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL13332637 0.91 SLC5A2 (0.86) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2497664 0.90 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2496102 0.90 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2495262 0.88 LMNA (0.91) SLC5A2LMNAHTTALOX15HSD17B10

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
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
US-8258163-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-04 US disclosed
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-21 US disclosed
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-07 US disclosed
US-7868028-B2 Guanidine compounds as anesthetics and for treatment of nervous system disorders Drasner, Fred (US) 2011-01-11 US disclosed
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-17 US disclosed
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants TAKTIX CORPORATION (US) 2005-10-13 US disclosed
EP-1551397-A2 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS MediQuest Therapeutics, Inc. (US) 2005-07-13 EP disclosed
WO-2003105779-A2 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION (US) 2003-12-24 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 (4 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-20100150840-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR SLC5A2 1397/4885LMNA 2921/4885HTT 988/4885
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 SLC5A2 1700/4885LMNA 1775/4885HTT 1558/4885
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants CACNA1E, CACNA1B, SCN1A SLC5A2 2022/4885LMNA 610/4885HTT 1547/4885
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 SLC5A2 1811/4885LMNA 1893/4885HTT 1503/4885

“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.