Bromide

Bromide

SCHEMBL1743182

CCOC(=O)C[n+]1cccc(OC(C)C)c1N.[Br-]

nearest known ligand 0.41

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
ACHE known ✓ P22303 1/20 0.35
ERAP1 Q9NZ08 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 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
Bromide SCHEMBL9210341 0.82 ERAP1 (0.45) ERAP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL31104719 0.78 MEN1 (0.41) ERAP1MEN1KMT2AALDH1A1KDM4E
Bromide SCHEMBL893233 0.75 ERAP1 (0.49) ERAP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL27592161 0.71 CYP4F2 (0.43) IRAK4MEN1KMT2AALDH1A1KDM4E
SCHEMBL19700528 0.70 KMT2A (0.49) ERAP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22710584 0.69 MEN1 (0.48) ERAP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7888801 0.69 TBXAS1 (0.49) IRAK4ALDH1A1KDM4ETSHRACHE
Bromide SCHEMBL17339130 0.69 ERAP1 (0.49) ERAP1MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11606548 0.68 KMT2A (0.51) ERAP1MEN1KMT2AALDH1A1KDM4E
Bromide SCHEMBL7401891 0.68 ERAP1 (0.48) ERAP1MEN1KMT2AALDH1A1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388000-B1 Neuroprotectant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2016-04-06 EP disclosed
EP-2077836-B1 AMYLOID BETA DEPOSITION INHIBITOR CONTAINING SPIRO-HETEROCYCLIC COMPOUND ZENYAKU KOGYO KK (JP) 2016-03-09 EP disclosed
EP-2388001-B1 Age retardant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2015-12-16 EP disclosed
US-9089561-B2 Methods for treating depression, neurodegeneration, inhibiting amyloid β deposition, delaying senescence, and extending life spans with heterocyclic compounds ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-28 US disclosed
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2014-06-19 US disclosed
EP-2388002-B1 Antidepressant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2013-03-13 EP disclosed
EP-2388000-A2 Neuroprotectant containing heterocyclic compound having specific structure ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-11-23 EP disclosed
EP-2388002-A2 Antidepressant containing heterocyclic compound having specific structure ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-11-23 EP disclosed
EP-2388001-A2 Age retardant containing heterocyclic compound having specific structure ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-11-23 EP disclosed
US-8040824-B2 Methods and apparatus for content delivery via application level multicast with minimum communication delay INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
EP-2077836-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP disclosed
US-20080103157-A1 3,3-dibenzylimidazo[1,2-a]pyridin-2(3H)-one; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
WO-2008047952-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO disclosed
EP-1219621-B1 AZAINDOLIZINONE DERIVATIVES AND COGNITIVE ENHANCERS COMPRISING THE SAME AS EFFECTIVE COMPONENTS ZENYAKU KOGYO KK (JP) 2003-10-22 EP disclosed
US-6635652-B1 Senile dementia and Alzheimer's disease ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-10-21 US disclosed
EP-1219621-A1 AZAINDOLIZINONE DERIVATIVES AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2002-07-03 EP 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-20080103157-A1 3,3-dibenzylimidazo[1,2-a]pyridin-2(3H)-one; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally PSEN1, PSEN2, BDNF ACHE 120/4885ERAP1 1044/4885IRAK4 3567/4885
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS PSEN1, GAP43, PSEN2 ACHE 16/4885ERAP1 1396/4885IRAK4 4686/4885

“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.