Bromide

Bromide

SCHEMBL5441123

Cc1cc(C)n(CCc2cc(-c3ccc[n+](CC(=O)c4cc([N+](=O)[O-])cs4)c3)[nH]n2)n1.[Br-]

nearest known ligand 0.37

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
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 8/20 0.35
LMNA P02545 6/20 0.35
HTT P42858 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 6/20 0.33
HSD17B10 Q99714 2/20 0.32
TP53 P04637 2/20 0.32
HPGD P15428 4/20 0.32
KMT2A Q03164 5/20 0.31
MEN1 O00255 3/20 0.31
POLB P06746 3/20 0.31
RECQL P46063 2/20 0.31
BLM P54132 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL6598296 0.99 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAHTTCASP3
Bromide SCHEMBL1194391 0.92 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL3689760 0.92 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAHTTMAPT
Bromide SCHEMBL6598138 0.79 MAPT (0.32) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6597394 0.78 SMN1; SMN2 (0.31) SMN1; SMN2
Bromide SCHEMBL1194586 0.76 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL6618821 0.75 MAPT (0.36) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL6596219 0.74 MAPT (0.35) SMN1; SMN2ALDH1A1LMNAHTTMAPT
Hydrochloric Acid SCHEMBL1193715 0.74 MAPT (0.34) SMN1; SMN2ALDH1A1LMNAHTTMAPT
Bromide SCHEMBL6597813 0.72 MAPT (0.34) ALDH1A1LMNAHTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167493-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. 2007-07-19 US claimed
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed
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 claimed

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-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 SMN1; SMN2 4239/4885ALDH1A1 132/4885LMNA 641/4885
US-20070167493-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 SMN1; SMN2 4474/4885ALDH1A1 226/4885LMNA 480/4885

“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.