SCHEMBL4573845

SCHEMBL4573845

CC(=O)CCc1sc(C)nc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SLC6A3 Q01959 1/20 0.36
HRH2 P25021 3/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL13995833 0.80 GAA (0.43) ALDH1A1GAATP53THRBSLC6A3
SCHEMBL18256086 0.79 ALDH1A1 (0.43) ALDH1A1GAACYP1A2
SCHEMBL1267025 0.77 ALDH1A1 (0.45) ALDH1A1GAATP53THRB
SCHEMBL263398 0.75 ALDH1A1 (0.45) ALDH1A1GAATP53THRBSLC6A3
SCHEMBL3873879 0.74 GAA (0.68) ALDH1A1GAATP53THRB
SCHEMBL10282380 0.73 ALDH1A1 (0.42) ALDH1A1GAATP53THRBSLC6A3
SCHEMBL18256087 0.72 ALDH1A1 (0.43) ALDH1A1GAATP53THRBSLC6A3
SCHEMBL873381 0.72 PTGDR2 (0.53) ALDH1A1GAASLC6A3CYP1A2PTGDR2
SCHEMBL2095581 0.71 ALDH1A1 (0.41) ALDH1A1GAATP53THRBSLC6A3
SCHEMBL8200751 0.71 ALDH1A1 (0.45) ALDH1A1GAATP53THRBSLC6A3

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-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
EP-0125094-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 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 (2 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C ALDH1A1 650/4885GAA 3287/4885TP53 4881/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C ALDH1A1 645/4885GAA 1692/4885TP53 4862/4885

“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.