SCHEMBL936411

SCHEMBL936411

COc1cc(NC(=O)Cc2cccs2)c(C(=O)c2cccc(Br)c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
POLB P06746 7/20 0.69
ALDH1A1 P00352 6/20 0.69
L3MBTL1 Q9Y468 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
CTDSP1 Q9GZU7 3/20 0.60
MAPT P10636 3/20 0.60
RECQL P46063 3/20 0.60
BLM P54132 3/20 0.60
THRB P10828 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 2/20 0.55
DNMT1 P26358 1/20 0.54
GAA P10253 1/20 0.50
HPGD P15428 2/20 0.49
CASP6 P55212 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL6336193 0.87 POLB (0.52) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL935674 0.76 NPC1 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL7519051 0.72 MEN1 (0.71) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL30924441 0.71 CYP1A2 (0.55) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL936440 0.70 MAPT (0.57) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL2624524 0.70 AKR1C2 (0.75) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL16361704 0.70 CYP3A4 (0.50) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL13635740 0.70 MEN1 (0.57) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL21468498 0.68 MEN1 (0.65) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL1942303 0.68 LMNA (0.58) MEN1KMT2APOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-8680116-B2 Quinolinone PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
EP-2456440-A1 QUINOLINONE PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-05-30 EP disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120115885-A1 Quinolinone PDE2 Inhibitors MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 WO disclosed
WO-2011011312-A1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-01-27 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-20120115885-A1 Quinolinone PDE2 Inhibitors PDE12, PDE2A, PDE4A MEN1 4092/4885KMT2A 856/4885POLB 1956/4885

“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.