Bromide

Bromide

SCHEMBL3406291

NCCCCCCN(Cc1ccccn1)Cc1ccccn1.O=C=[Re+](=C=O)=C=O.[Br-]

nearest known ligand 0.53

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
CHRM2 known ✓ P08172 2/20 0.49
CHRM4 known ✓ P08173 2/20 0.49
CHRM5 known ✓ P08912 2/20 0.49
CHRM1 known ✓ P11229 2/20 0.49
CHRM3 known ✓ P20309 2/20 0.49
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LIN28A Q9H9Z2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CXCR4 P61073 9/20 0.51
HRH1 P35367 2/20 0.49
TERT O14746 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL3972256 0.88 CXCR4 (0.44) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL13764390 0.88 MAPT (0.68) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL2831556 0.88 MAPT (0.68) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL10261442 0.86 MAPT (0.70) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL29444010 0.82 MAPT (0.67) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL8527380 0.82 MAPT (0.72) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL4216543 0.80 MAPT (0.56) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL4094117 0.78 CXCR4 (0.50) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL2474794 0.78 CXCR4 (0.50) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL6864020 0.75 MAPT (0.85) MAPTSMN1; SMN2LIN28ATDP1CXCR4

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
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-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 CHRM2 4757/4885CHRM4 4783/4885CHRM5 4817/4885

“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.