SCHEMBL2950756

SCHEMBL2950756

O=c1c2c3c(sc2nc2n1CCCCC2)CCCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
MAPT P10636 5/20 1.00
HPGD P15428 4/20 1.00
LMNA P02545 4/20 1.00
HSD17B10 Q99714 2/20 1.00
ALOX15 P16050 1/20 1.00
POLB P06746 4/20 0.97
TSHR P16473 3/20 0.94
GAA P10253 2/20 0.94
CASP1 P29466 1/20 0.94
KDM4E B2RXH2 3/20 0.70
GLA P06280 1/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
BLM P54132 1/20 0.59
GFER P55789 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL2950818 1.00 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13154693 1.00 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2953501 0.99 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2947859 0.99 SMN1; SMN2 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2951654 0.96 LMNA (0.97) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2946296 0.83 ALDH1A1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13154699 0.83 ALDH1A1 (0.97) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18271675 0.83 LMNA (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2942486 0.82 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2951630 0.82 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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
EP-1635840-B1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARM BV (NL) 2008-07-23 EP claimed
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-01 US 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
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-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 (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 1472/4885RAB9A 3542/4885
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds HSD17B3, HSD17B1, HSD17B2 ALDH1A1 139/4885NPC1 1504/4885RAB9A 4047/4885
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885NPC1 1472/4885RAB9A 3542/4885

“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.