Bromide

Bromide

SCHEMBL5576990

Br.NS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc2c1OCC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 17)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 3/20 0.32
SLC6A4 known ✓ P31645 3/20 0.32
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
P2RX4 Q99571 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
SLC2A1 P11166 2/20 0.32
ROCK2 O75116 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5308103 0.99 PTGS1 (0.36) PTGS1PTGS2PTGDR2P2RX4HTR2A
SCHEMBL5307952 0.98 PTGS1 (0.36) PTGS1PTGS2PTGDR2P2RX4HTR2A
Hydrochloric Acid SCHEMBL5310493 0.98 PTGS1 (0.36) PTGS1PTGS2PTGDR2P2RX4HTR2A
Hydrochloric Acid SCHEMBL5311251 0.98 PTGS1 (0.35) PTGS1PTGS2PTGDR2P2RX4HTR2A
SCHEMBL5308091 0.98 PTGS1 (0.37) PTGS1PTGS2PTGDR2P2RX4HTR2A
Maleic Acid SCHEMBL5310425 0.95 PTGS1 (0.34) PTGS1PTGS2PTGDR2P2RX4HTR2A
Fumaric Acid SCHEMBL5308083 0.95 PTGS1 (0.34) PTGS1PTGS2PTGDR2P2RX4HTR2A
Fumaric Acid SCHEMBL5308085 0.95 PTGS1 (0.34) PTGS1PTGS2PTGDR2P2RX4HTR2A
SCHEMBL5309990 0.92 PTGS1 (0.34) PTGS1PTGS2PTGDR2HTR2AHTR2C
SCHEMBL5308109 0.90 PTGS1 (0.37) PTGS1PTGS2PTGDR2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 HTR1A 909/4885SLC6A4 1666/4885PTGS1 344/4885

“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.