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Bromide

Bromide

SCHEMBL5559706

Clc1ccc(C[n+]2cc(-c3ccccc3)cc(N3CCOCC3)n2)cc1.[Br-]

nearest known ligand 0.46

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
▸ CHKA known ✓ P35790 1/20 0.39
▸ MAPT P10636 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMG1 Q96Q15 1/20 0.39
▸ KDM4E B2RXH2 3/20 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
Bromide SCHEMBL5565800 0.92 HTT (0.48) MAPTHTTALDH1A1MAPK1TSHR
Bromide SCHEMBL5564744 0.90 CNR2 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL5565848 0.89 CNR2 (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL5565101 0.89 HTT (0.43) MAPTHTTALDH1A1MAPK1TSHR
Bromide SCHEMBL5560418 0.89 HTT (0.43) MAPTCYP1A2CYP2C9HTTALDH1A1
Hydrochloric Acid SCHEMBL5565412 0.86 ALDH1A1 (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Bromide SCHEMBL5560141 0.86 MAPT (0.41) MAPTHTTALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL5559797 0.86 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19HTT
Bromide SCHEMBL5561271 0.86 CNR2 (0.46) MAPTHTTALDH1A1MAPK1TSHR
SCHEMBL6017175 0.84 CNR2 (0.47) MAPTHTTALDH1A1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300932-B2 Pyrrolo[1,2-b]pyridazine derivatives JAPAN TOBACCO INC. (JP) 2007-11-27 — — US disclosed
EP-1653969-A4 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC (JP) 2006-12-20 — — EP disclosed
EP-1653969-A2 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES Japan Tabacco Inc. (JP) 2006-05-10 — — EP disclosed
US-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism TULARIK INC. (US) 2005-03-31 — — US disclosed
WO-2005013907-A2 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC. (JP) 2005-02-17 — — 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 (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-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism PC, ACACB, ACAT1 CHKA 1559/4885MAPT 2498/4885CYP1A2 2923/4885

“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.