SCHEMBL6097864

SCHEMBL6097864

C#CCN1C(=O)C(=O)N(c2cc(Cl)ccc2C)C1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.36
USP2 O75604 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA1B P35368 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
MAPT P10636 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
SCHEMBL6099362 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL8915515 0.78 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL6095067 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1USP2ADRA1B
SCHEMBL6097903 0.73 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8662875 0.69 GAA (0.40) MEN1KMT2AALDH1A1USP2HCAR1
SCHEMBL11610302 0.69 NPSR1 (0.45) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL6096783 0.68 PARK7 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL8919380 0.68 KMT2A (0.48) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL6097313 0.67 KMT2A (0.45) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL9152877 0.66 MGLL (0.55) MEN1KMT2AALDH1A1HPGDNPSR1

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-7135492-B2 Increases the concentration of high density lipoprotein cholesterol in the blood; dyslipoproteinemia; angina pectoris, myocardial infarction, antiarrhythmia agents, heart failure, kidney failure stroke, peripheral arterial occulsion WYETH (US) 2006-11-14 US claimed
US-20030119889-A1 1,3-Disubstituted-2- thioxo-imidazolidine-4,5-dione derivatives useful in the treatment of atherosclerosis WYETH 2003-06-26 US claimed
US-7135492-B2 Increases the concentration of high density lipoprotein cholesterol in the blood; dyslipoproteinemia; angina pectoris, myocardial infarction, antiarrhythmia agents, heart failure, kidney failure stroke, peripheral arterial occulsion WYETH (US) 2006-11-14 US disclosed
US-20030119889-A1 1,3-Disubstituted-2- thioxo-imidazolidine-4,5-dione derivatives useful in the treatment of atherosclerosis WYETH 2003-06-26 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-20030119889-A1 1,3-Disubstituted-2- thioxo-imidazolidine-4,5-dione derivatives useful in the treatment of atherosclerosis FFAR4, FFAR1, MSR1 MEN1 4454/4885KMT2A 3781/4885ALDH1A1 896/4885

“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.