SCHEMBL1817640

SCHEMBL1817640

CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2sc3c(c2c1=O)CC(C)CC3=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
CDKN1A P38936 3/20 0.34
FSHR P23945 5/20 0.34

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
SCHEMBL2924151 0.86 CDKN1A (0.43) SMN1; SMN2RXFP1ALDH1A1HPGDMEN1
SCHEMBL3990215 0.85 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL1818757 0.84 HSD11B1 (0.47) SMN1; SMN2RXFP1ALDH1A1HPGDMEN1
SCHEMBL2925396 0.81 MEN1 (0.42) SMN1; SMN2RXFP1ALDH1A1HPGDMEN1
SCHEMBL2925783 0.81 SMN1; SMN2 (0.39) SMN1; SMN2RXFP1ALDH1A1HPGDMEN1
SCHEMBL2925650 0.80 CDKN1A (0.56) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL1819660 0.76 HSD11B1 (0.44) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL2921214 0.76 RXFP1 (0.50) SMN1; SMN2RXFP1ALDH1A1HPGDLMNA
SCHEMBL3988444 0.74 HSD11B1 (0.44) MEN1KMT2A
SCHEMBL2922023 0.73 HSD11B1 (0.57) SMN1; SMN2RXFP1ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4686549-B2 2011-05-25 JP claimed
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP claimed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 EP claimed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 WO claimed
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-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US 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
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US 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
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

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 3338/4885RXFP1 4127/4885ALDH1A1 229/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 SMN1; SMN2 3338/4885RXFP1 4127/4885ALDH1A1 229/4885

“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.