Bromide

Bromide

SCHEMBL3063012

Br.CCn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2cc(Oc3ccc(N(C)C(=O)c4ccc(C(F)(F)F)cc4)cn3)ccc21

nearest known ligand 0.50

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 7)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 15/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SCN9A Q15858 1/20 0.44
PIK3CA P42336 1/20 0.42
PRKAA2 P54646 1/20 0.42
KDM4E B2RXH2 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 SCHEMBL3066691 0.93 STAT3 (0.52) STAT3MEN1KMT2APIK3CAPRKAA2
SCHEMBL15295489 0.92 STAT3 (0.52) STAT3MEN1KMT2APIK3CAPRKAA2
Bromide SCHEMBL3067802 0.87 STAT3 (0.51) STAT3MEN1KMT2APIK3CAPRKAA2
Bromide SCHEMBL3063425 0.87 STAT3 (0.49) STAT3MEN1KMT2A
Bromide SCHEMBL3065084 0.86 STAT3 (0.53) STAT3SCN9APIK3CAPRKAA2
SCHEMBL10180502 0.85 STAT3 (0.53) STAT3SCN9APIK3CAPRKAA2
Bromide SCHEMBL3056975 0.85 STAT3 (0.57) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3050200 0.85 STAT3 (0.47) STAT3PIK3CAPRKAA2
SCHEMBL15295463 0.84 STAT3 (0.52) STAT3PIK3CAPRKAA2
Hydrochloric Acid SCHEMBL3061098 0.84 STAT3 (0.50) STAT3PIK3CAPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 STAT3 1499/4885MEN1 275/4885KMT2A 2904/4885

“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.