SCHEMBL3080405

SCHEMBL3080405

COC(=O)C(=O)Oc1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.62
MAOB P27338 5/20 0.55
MAOA P21397 4/20 0.55
HPGD P15428 1/20 0.54
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.44
ATM Q13315 1/20 0.41

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
SCHEMBL705947 0.82 MAOB (0.79) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL30248834 0.77 ALDH1A1 (1.00) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL750896 0.77 ALDH1A1 (1.00) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL16412941 0.74 ALDH1A1 (0.62) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL3254310 0.73 ALDH1A1 (0.90) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL4286520 0.72 HTT (0.75) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL15631693 0.71 MAOB (1.00) ALDH1A1LMNAMAOBMAOAHTT
SCHEMBL434490 0.70 EPHX2 (0.77) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL23781330 0.70 HTT (0.77) ALDH1A1LMNAMAOBMAOAHPGD
SCHEMBL13545258 0.70 ALDH1A1 (0.57) ALDH1A1LMNAMAOBMAOAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885LMNA 3190/4885MAOB 43/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885LMNA 3190/4885MAOB 43/4885

“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.