SCHEMBL2919972

SCHEMBL2919972

COc1cc(C(=O)NCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.82
HPGD P15428 3/20 0.82
LMNA P02545 2/20 0.82
ALDH1A1 P00352 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.65
MAPK1 P28482 2/20 0.64
KMT2A Q03164 3/20 0.64
BRD4 O60885 1/20 0.64
KDM4E B2RXH2 2/20 0.63
RAB9A P51151 1/20 0.63
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.62
GLA P06280 1/20 0.62
DRD2 P14416 1/20 0.62
ACHE P22303 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
DRD3 P35462 1/20 0.62
KCNH2 Q12809 1/20 0.62
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL24162968 0.88 HPGD (0.70) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL6848908 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL9543614 0.88 MEN1 (0.67) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL10949279 0.87 ALDH1A1 (0.69) SMN1; SMN2HPGDLMNAALDH1A1MAPK1
SCHEMBL28859140 0.85 NR1H4 (0.82) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL7323385 0.85 SMN1; SMN2 (0.62) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL2926787 0.84 ALDH1A1 (0.78) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL13947134 0.83 L3MBTL1 (0.70) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL4738279 0.82 DUSP3 (0.71) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1
SCHEMBL30829417 0.82 L3MBTL1 (0.68) SMN1; SMN2HPGDLMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013061105-A2 GLYCOGEN PHOSPHORYLASE INHIBITORS DEBRECENI EGYETEM (HU) 2013-05-02 WO disclosed
CN-101087793-B Novel substituted thiophenepyrimidinone derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase SOLVAY PHARM BV 2011-09-07 CN disclosed
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP disclosed
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
CN-101087793-A Novel substituted thiophenepyrimidinone derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase SOLVAY PHARM BV (DE) 2007-12-12 CN disclosed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 EP disclosed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 WO disclosed
CN-1791412-A Novel compounds and their use in therapy SOLVAY PHARM GMBH (NL) 2006-06-21 CN disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US disclosed
EP-0750607-B1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1999-05-06 EP 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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 SMN1; SMN2 3338/4885HPGD 96/4885LMNA 4510/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 SMN1; SMN2 3338/4885HPGD 96/4885LMNA 4510/4885

“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.