Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL5560141

CC(C)(C)c1ccc(C[n+]2cc(-c3ccccc3)cc(N3CCOCC3)n2)cc1.[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
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ TP53 P04637 2/20 0.40
▸ MTOR P42345 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PRKDC P78527 3/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CRHBP P24387 1/20 0.36

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 SCHEMBL5561271 0.89 CNR2 (0.46) MAPTALDH1A1HTTTP53MTOR
Bromide SCHEMBL5565800 0.89 HTT (0.48) MAPTALDH1A1HTTMTORNPSR1
SCHEMBL6017175 0.88 CNR2 (0.47) MAPTALDH1A1HTTTP53MTOR
Bromide SCHEMBL5565101 0.86 HTT (0.43) MAPTALDH1A1HTTTP53MTOR
Bromide SCHEMBL5560418 0.86 HTT (0.43) MAPTALDH1A1HTTTP53MTOR
Hydrochloric Acid SCHEMBL5565412 0.86 ALDH1A1 (0.47) MAPTALDH1A1HTTTP53MTOR
Bromide SCHEMBL5559706 0.86 MAPT (0.46) MAPTALDH1A1HTTMTORNPSR1
Hydrochloric Acid SCHEMBL5564730 0.83 ALDH1A1 (0.45) MAPTALDH1A1HTTTP53MTOR
Hydrochloric Acid SCHEMBL5559797 0.83 MAPT (0.41) MAPTALDH1A1HTTTP53MTOR
Bromide SCHEMBL5564744 0.83 CNR2 (0.44) MAPTALDH1A1HTTMTORNPSR1

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 MAPT 2498/4885ALDH1A1 978/4885HTT 894/4885

“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.