Bromide

Bromide

SCHEMBL893233

CCOC(=O)C[n+]1ccccc1N.[Br-]

nearest known ligand 0.49

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
ERAP1 Q9NZ08 1/20 0.49
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.43
APOBEC3A P31941 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL8303157 0.83 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
Bromide SCHEMBL17339130 0.81 ERAP1 (0.49) ERAP1KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11606548 0.81 KMT2A (0.51) ERAP1KMT2AMEN1ALDH1A1KDM4E
Bromide SCHEMBL9210341 0.80 ERAP1 (0.45) ERAP1KMT2AMEN1ALDH1A1KDM4E
Bromide SCHEMBL7401891 0.80 ERAP1 (0.48) ERAP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL19700528 0.79 KMT2A (0.49) ERAP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17339102 0.79 KMT2A (0.47) ERAP1KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11422962 0.77 KMT2A (0.48) ERAP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13657180 0.76 ALDH1A1 (0.39) ERAP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL31104719 0.76 MEN1 (0.41) ERAP1KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083486-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-05 US disclosed
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKI KAISHA 2011-03-10 US disclosed
EP-2257290-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-12-08 EP disclosed
WO-2009107401-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2009-09-03 WO disclosed
US-20090221554-A1 METHOD OF TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-09-03 US disclosed
EP-2077835-A2 AN ALZHEIMER'S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP disclosed
US-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
WO-2008047951-A2 AN ALZHEIMER' S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 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-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally PSEN1, PSEN2, GRN ERAP1 1270/4885KMT2A 4291/4885MEN1 2350/4885
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF ERAP1 2974/4885KMT2A 918/4885MEN1 914/4885
US-20120083486-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF ERAP1 2974/4885KMT2A 918/4885MEN1 914/4885
US-20090221554-A1 METHOD OF TREATING COGNITIVE IMPAIRMENT CHAT, ACHE, BCHE ERAP1 1347/4885KMT2A 2925/4885MEN1 4482/4885

“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.