Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL3408608

NS(=O)(=O)c1ccc(N(Cc2ccccn2)Cc2ccccn2)cc1.O=C=[Re+](=C=O)=C=O.[Br-]

nearest known ligand 0.47

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
▸ CA2 P00918 6/20 0.47
▸ CA1 P00915 5/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ CA9 Q16790 3/20 0.45
▸ CA12 O43570 2/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ CA4 P22748 1/20 0.42
▸ KCNA5 P22460 2/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ LIN28A Q9H9Z2 1/20 0.37

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
SCHEMBL3404091 0.90 CA2 (0.56) CA2CA1CA7CA5ACA5B
Bromide SCHEMBL3408374 0.84 KCNA5 (0.46) CA2CA1CA7CA5ACA5B
Bromide SCHEMBL3412201 0.81 CA2 (0.46) CA2CA1CA7CA5ACA5B
SCHEMBL3410737 0.72 KCNA5 (0.54) CA2CA1CA7CA5ACA5B
SCHEMBL30097972 0.71 L3MBTL1 (0.54) KMT2AKCNA5NR1H2NR1H3MAPT
SCHEMBL17495247 0.71 L3MBTL1 (0.54) KMT2AKCNA5NR1H2NR1H3MAPT
SCHEMBL29777383 0.70 SMN1; SMN2 (0.59) KMT2AKCNA5NR1H2NR1H3MAPT
SCHEMBL18157925 0.70 SMN1; SMN2 (0.59) KMT2AKCNA5NR1H2NR1H3MAPT
SCHEMBL2830314 0.69 MAPT (0.55) CA2CA1CA7CA5ACA5B
SCHEMBL3404054 0.68 CA2 (0.65) CA2CA1CA7CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2823826-A2 Inhibitors of carbonic anhydrase IX Molecular Insight Pharmaceuticals, Inc. (US) 2015-01-14 — — EP disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 — — US disclosed
EP-2240171-B1 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARM INC (US) 2014-08-13 — — EP disclosed
EP-2240171-A2 INHIBITORS OF CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals, Inc. (US) 2010-10-20 — — EP disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 — — WO disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 — — US 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 CA2 7/4885CA1 3/4885CA7 9/4885

“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.