SCHEMBL2946302

SCHEMBL2946302

O=CC1=C(SC2CCCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
RAB9A P51151 9/20 0.56
POLB P06746 5/20 0.56
MAPT P10636 5/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
BLM P54132 1/20 0.56
GFER P55789 1/20 0.56
NPC1 O15118 9/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.47
TP53 P04637 1/20 0.40

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
SCHEMBL2946357 1.00 ALDH1A1 (0.56) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL13154714 0.84 ALDH1A1 (0.55) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2944804 0.83 ALDH1A1 (0.56) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2945287 0.83 ALDH1A1 (0.56) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2946750 0.83 ALDH1A1 (0.56) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2954777 0.82 ALDH1A1 (0.54) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2950526 0.82 ALDH1A1 (0.54) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL13154705 0.81 ALDH1A1 (0.64) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2950367 0.81 ALDH1A1 (0.64) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL2945899 0.81 ALDH1A1 (0.53) ALDH1A1RAB9APOLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635840-B1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARM BV (NL) 2008-07-23 EP claimed
EP-1635840-A1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP claimed
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-10 US claimed
WO-2004110459-A1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-12-23 WO 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-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 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
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 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
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-10 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 (5 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-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 ALDH1A1 377/4885RAB9A 3474/4885POLB 1608/4885
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 2150/4885RAB9A 3751/4885POLB 2274/4885
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885RAB9A 3542/4885POLB 2228/4885
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds HSD17B3, HSD17B1, HSD17B2 ALDH1A1 139/4885RAB9A 4047/4885POLB 2368/4885
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885RAB9A 3542/4885POLB 2228/4885

“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.