Bromide

Bromide

SCHEMBL5061856

Br.Br.CCOC(=O)c1csc(C2CCNCC2)n1

nearest known ligand 0.51

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
▸ BAZ2A Q9UIF9 2/20 0.51
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PLAT P00750 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.42

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
SCHEMBL1228518 0.99 BAZ2A (0.52) BAZ2ARAB9ANPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL1119928 0.97 RAB9A (0.53) BAZ2ARAB9ANPC1MAPTALDH1A1
SCHEMBL2142237 0.89 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1CASP3
Tert-Butyl Formate SCHEMBL27649859 0.88 BAZ2A (0.46) BAZ2ARAB9ANPC1MAPTALDH1A1
SCHEMBL2142696 0.87 SMN1; SMN2 (0.56) RAB9ANPC1MAPTALDH1A1CASP3
SCHEMBL1245930 0.87 SMN1; SMN2 (0.60) RAB9ANPC1MAPTALDH1A1CASP3
SCHEMBL996638 0.85 SMN1; SMN2 (0.62) RAB9ANPC1MAPTALDH1A1CASP3
SCHEMBL3435708 0.84 RAB9A (0.52) RAB9ANPC1MAPTALDH1A1CASP3
SCHEMBL17885697 0.84 RAB9A (0.52) RAB9ANPC1MAPTALDH1A1CASP3
SCHEMBL31705780 0.84 PLAT (0.45) BAZ2AMAPTCASP3CASP7CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 — — US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
EP-1735622-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2006-12-27 — — EP disclosed
WO-2005116653-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-08 — — 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 (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-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders GPR119, GCGR, GLP1R BAZ2A 2420/4885RAB9A 1515/4885NPC1 1246/4885
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders GPR119, GCGR, GLP1R BAZ2A 2420/4885RAB9A 1515/4885NPC1 1246/4885

“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.

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