Bromide

Bromide

SCHEMBL5359071

O=C(C[n+]1cccc(-c2cc(CCC3CCCCC3)nn2-c2ccccc2)c1)c1cccs1.[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
EPHX2 P34913 4/20 0.41
PTGS2 P35354 3/20 0.41
FAAH O00519 2/20 0.40
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
MAPK14 Q16539 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL1194595 0.76 MAPT (0.38) EPHX2PTGS2GRM5ALDH1A1NPC1
SCHEMBL287276 0.75 ALDH1A1 (0.35) EPHX2PTGS2FAAHGRM5ALDH1A1
Bromide SCHEMBL6608939 0.73 SLC16A3 (0.39) GRM5ALDH1A1NPC1RAB9AL3MBTL1
Bromide SCHEMBL6597846 0.65 KMT2A (0.46) PTGS2ALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL6609297 0.65 ALOX5 (0.35) ALDH1A1NPC1RAB9AHPGDMEN1
Hydrochloric Acid SCHEMBL6596513 0.64 RAB9A (0.43) ALDH1A1NPC1RAB9AHPGDMEN1
Bromide SCHEMBL1193996 0.64 RAB9A (0.58) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL15272647 0.63 EPHX2 (0.82) EPHX2PTGS2FAAHNPC1RAB9A
SCHEMBL6598001 0.62 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL30206692 0.62 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223777-B2 Compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2007-05-29 US disclosed
US-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2003-03-06 US 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 (1 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-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 EPHX2 1355/4885PTGS2 937/4885FAAH 2136/4885

“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.