SCHEMBL6099387

SCHEMBL6099387

CCNC(=S)Nc1cc(F)ccc1C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TP53 P04637 1/20 0.57
GAA P10253 4/20 0.55
POLB P06746 3/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL5453892 0.82 LMNA (0.66) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL8720521 0.81 ALDH1A1 (0.57) ALDH1A1TP53GAAPOLBKMT2A
SCHEMBL6097058 0.81 SMN1; SMN2 (0.69) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL11513072 0.78 LMNA (0.52) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL8419702 0.76 ALDH1A1 (0.51) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL6835277 0.76 ALDH1A1 (0.51) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL11282594 0.76 L3MBTL1 (0.70) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL20560206 0.76 ALDH1A1 (0.51) ALDH1A1TP53GAAKMT2AMEN1
SCHEMBL11513026 0.75 ALDH1A1 (0.59) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL19456057 0.74 ALDH1A1 (0.49) ALDH1A1TP53GAAKMT2AMEN1

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-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 ALDH1A1 896/4885TP53 3470/4885GAA 4801/4885

“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.