SCHEMBL2945899

SCHEMBL2945899

O=CC1=C(Sc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
NPC1 O15118 7/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 7/20 0.49
MAPT P10636 7/20 0.49
POLB P06746 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
BLM P54132 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL19236017 0.90 ALDH1A1 (0.48) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL13154719 0.89 ALDH1A1 (0.50) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL13154713 0.84 ALDH1A1 (0.53) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2946750 0.82 ALDH1A1 (0.56) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2944804 0.82 ALDH1A1 (0.56) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2945287 0.82 ALDH1A1 (0.56) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2946302 0.81 ALDH1A1 (0.56) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2946357 0.81 ALDH1A1 (0.56) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2954777 0.80 ALDH1A1 (0.54) ALDH1A1NPC1KDM4EGAARAB9A
SCHEMBL2950526 0.80 ALDH1A1 (0.54) ALDH1A1NPC1KDM4EGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754709-B2 Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds SOLVAY PHARMACEUTICALS BV (NL) 2010-07-13 US claimed
EP-1635840-B1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARM BV (NL) 2008-07-23 EP claimed
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-10 US claimed
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds SOLVAY PHARMACEUTICALS B.V. (NL) 2010-09-30 US disclosed
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds SOLVAY PHARMACEUTICALS B.V. (NL) 2010-09-30 US disclosed
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds SOLVAY PHARMACEUTICALS B.V. (NL) 2010-09-30 US disclosed
US-7754709-B2 Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds SOLVAY PHARMACEUTICALS BV (NL) 2010-07-13 US disclosed
US-7754709-B2 Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds SOLVAY PHARMACEUTICALS BV (NL) 2010-07-13 US disclosed
US-7754709-B2 Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds SOLVAY PHARMACEUTICALS BV (NL) 2010-07-13 US disclosed
EP-1635840-B1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-01 US disclosed
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-01 US disclosed
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-01 US disclosed
EP-1635840-A1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP disclosed
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-10 US disclosed
WO-2004110459-A1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-12-23 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 (3 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-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885NPC1 1472/4885KDM4E 2887/4885
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds HSD17B3, HSD17B1, HSD17B2 ALDH1A1 139/4885NPC1 1504/4885KDM4E 2267/4885
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885NPC1 1472/4885KDM4E 2887/4885

“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.