SCHEMBL4801216

SCHEMBL4801216

Cn1c(=O)cc(S)n(CC2CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PARG Q86W56 4/20 0.39
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NOTUM Q6P988 1/20 0.36
DPP4 P27487 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL9707792 0.80 ALDH1A1 (0.57) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL4803221 0.80 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3833932 0.77 ALDH1A1 (0.58) ALDH1A1POLBMEN1KMT2ACYP3A4
SCHEMBL5397566 0.76 ALDH1A1 (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3827118 0.75 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2ACYP3A4
SCHEMBL4807671 0.74 PARG (0.41) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL4811599 0.74 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL1545986 0.73 HPGD (0.53) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3829961 0.72 ALDH1A1 (0.65) ALDH1A1LMNAPOLBCYP3A4SMN1; SMN2
SCHEMBL4807789 0.72 GRM2 (0.44) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2

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-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 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-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 ALDH1A1 401/4885LMNA 4569/4885POLB 2527/4885

“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.