Bromide

Bromide

SCHEMBL6167505

Br.CNCC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.65

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
MAPT P10636 5/20 0.58
TSHR P16473 2/20 0.58
CTNNB1 P35222 2/20 0.58
WNT3A P56704 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55

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
SCHEMBL3652524 0.98 MAPT (0.59) MAPTTSHRCTNNB1WNT3ACYP1A2
Hydrochloric Acid SCHEMBL3656869 0.97 MAPT (0.58) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL1659363 0.84 MAPT (0.71) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL19407168 0.82 CTNNB1 (0.65) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL10455919 0.80 CTNNB1 (0.83) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL12393737 0.80 CTNNB1 (0.61) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL30629388 0.79 CA12 (0.65) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL7380780 0.79 MAPT (0.61) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL11045656 0.79 MAPT (0.61) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL1322947 0.79 MAPT (0.61) MAPTTSHRCTNNB1WNT3ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US disclosed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A MAPT 4734/4885TSHR 2165/4885CTNNB1 1821/4885

“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.