Bromide

Bromide

SCHEMBL3047667

Cc1n(CCCOC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc[n+]1Cc1ccccc1.[Br-]

nearest known ligand 0.43

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 18)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 15/20 0.43
CHRM1 known ✓ P11229 15/20 0.43
CHRM3 known ✓ P20309 15/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HTT P42858 1/20 0.43
EEF2K O00418 2/20 0.42
EEF2 P13639 2/20 0.42
MEN1 O00255 1/20 0.42
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
EGFR P00533 1/20 0.42
TYK2 P29597 1/20 0.42
FLT3 P36888 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ITK Q08881 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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 SCHEMBL3050549 1.00 CA1 (0.43) CA1CA2CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL2793948 0.98 CHRM2 (0.43) CHRM2CHRM1CHRM3HTTEEF2K
Bromide SCHEMBL2797909 0.98 EEF2K (0.43) CA1CA2CHRM2CHRM1CHRM3
Bromide SCHEMBL3040164 0.95 CHRM2 (0.41) CA1CA2CHRM2CHRM1CHRM3
Bromide SCHEMBL2795641 0.95 CHRM2 (0.41) CA1CA2CHRM2CHRM1CHRM3
Bromide SCHEMBL3042366 0.95 CHRM2 (0.41) CA1CA2CHRM2CHRM1CHRM3
Bromide SCHEMBL3044853 0.95 CA1 (0.45) CA1CA2CHRM2CHRM1CHRM3
SCHEMBL2791768 0.95 CHRM2 (0.41) CHRM2CHRM1CHRM3HTT
Hydrochloric Acid SCHEMBL2793589 0.94 CHRM2 (0.41) CHRM2CHRM1CHRM3HTT
Hydrochloric Acid SCHEMBL2793696 0.94 HTT (0.45) CA1CA2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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 (3 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 CHRM2 1791/4885CHRM1 853/4885CHRM3 1496/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM2 84/4885CHRM1 158/4885CHRM3 88/4885

“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.