Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL4150224

C[N+]1(Cc2ccccc2)CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.[Br-]

nearest known ligand 0.60

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
▸ NPSR1 Q6W5P4 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ MAPT P10636 6/20 0.54
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ FAAH O00519 6/20 0.45
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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 SCHEMBL4155977 0.96 NPSR1 (0.58) NPSR1PKMMAPTPOLBKDM4E
Bromide SCHEMBL4152044 0.82 NPSR1 (0.59) NPSR1PKMMAPTPOLBNPC1
Bromide SCHEMBL4167080 0.82 NPSR1 (0.59) NPSR1PKMMAPTPOLBNPC1
Bromide SCHEMBL4160960 0.81 MAPT (0.56) NPSR1PKMMAPTPOLBMEN1
Hydrochloric Acid SCHEMBL4154088 0.80 NPSR1 (0.59) NPSR1PKMMAPTPOLBNPC1
Iodide SCHEMBL4155323 0.80 NPSR1 (0.59) NPSR1PKMMAPTPOLBNPC1
Iodide SCHEMBL4150132 0.78 NPSR1 (0.56) NPSR1PKMMAPTPOLBNPC1
Bromide SCHEMBL4171632 0.77 MAPT (0.57) NPSR1PKMMAPTPOLBKDM4E
Bromide SCHEMBL4149889 0.77 MAPT (0.57) NPSR1PKMMAPTPOLBKDM4E
Iodide SCHEMBL4154030 0.77 NPSR1 (0.68) NPSR1PKMMAPTPOLBNPC1

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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 — — US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 — — US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 — — US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 — — 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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A NPSR1 24/4885PKM 4132/4885MAPT 4268/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A NPSR1 24/4885PKM 4132/4885MAPT 4268/4885

“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.