Bromide

Bromide

SCHEMBL5458775

Br.Br.CC1N(CCCCCC(=O)O)c2cc3c(cc2C1(C)C)N(CCCCCC(=O)O)C(C)C3(C)C

nearest known ligand 0.39

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 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
F13A1 P00488 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PTGIR P43119 2/20 0.33
TBXAS1 P24557 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33

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 SCHEMBL14843908 0.86 MDM2 (0.39) PTGS1PTGS2SMN1; SMN2MEN1KDM4A
SCHEMBL28249171 0.86 KMT2A (0.38) PTGS1PTGS2SMN1; SMN2MEN1KDM4A
Bromide SCHEMBL7649880 0.85 GAA (0.40) PTGS1PTGS2MAPTGAAPTGIR
SCHEMBL14854426 0.85 MDM2 (0.39) PTGS1PTGS2SMN1; SMN2MEN1KDM4A
SCHEMBL3418485 0.85 PTGDR2 (0.44) PTGS1PTGS2SMN1; SMN2MEN1KDM4A
SCHEMBL25230632 0.84 GAA (0.41) PTGS1PTGS2MAPTGAAPTGIR
Bromide SCHEMBL861823 0.84 APEX1 (0.35) SMN1; SMN2MEN1KDM4APOLBMAPT
SCHEMBL14454734 0.82 FABP4 (0.41) MAPTGAAPTGIRFABP4FABP5
SCHEMBL28395116 0.82 SMN1; SMN2 (0.36) PTGS1PTGS2SMN1; SMN2MEN1KDM4A
SCHEMBL23724052 0.82 APEX1 (0.36) SMN1; SMN2MEN1KDM4APOLBMAPT

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-20070281363-A1 Reporter molecules based on squaric, croconic, and/or rhodizonic acid; photoluminescence Terpetschnig, Ewald (US) 2007-12-06 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-20070281363-A1 Reporter molecules based on squaric, croconic, and/or rhodizonic acid; photoluminescence SPR, SRRT, SQLE PTGS1 923/4885PTGS2 657/4885SMN1; SMN2 2937/4885

“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.