Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL117671

Br.Br.Nc1nc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.54

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
▸ XDH P47989 1/20 0.54
▸ PDPK1 O15530 1/20 0.50
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ IKBKB O14920 1/20 0.43
▸ DGAT1 O75907 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN2A Q99250 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MASP2 O00187 1/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ NPBWR1 P48145 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 SCHEMBL2381467 1.00 XDH (0.54) XDHPDPK1ADORA2AADORA1IKBKB
SCHEMBL119520 0.99 XDH (0.56) XDHPDPK1ADORA2AADORA1IKBKB
SCHEMBL2360716 0.82 MASP2 (0.48) XDHDGAT1KCNH2MEN1ALDH1A1
SCHEMBL30218684 0.82 MASP2 (0.48) XDHDGAT1KCNH2MEN1ALDH1A1
Bromide SCHEMBL2380560 0.80 XDH (0.57) XDHADORA2AADORA1KCNH2MEN1
SCHEMBL5679180 0.80 TAAR1 (0.50) ADORA2AMEN1ALDH1A1KMT2AMASP2
SCHEMBL3718925 0.79 PARP1 (0.53) XDHPDPK1PARP1EGLN1CDC7
SCHEMBL3827667 0.79 ALDH1A1 (0.58) XDHMEN1ALDH1A1KMT2AMASP2
SCHEMBL5680030 0.78 XDH (0.58) XDHADORA2AADORA1KCNH2MEN1
Bromide SCHEMBL2381776 0.78 BACE1 (0.53) ADORA2AADORA1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 — — US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 — — EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 — — 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 (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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP XDH 1372/4885PDPK1 385/4885ADORA2A 2939/4885

“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.