SCHEMBL4713744

SCHEMBL4713744

CC(O)c1ccc2ncsc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KDM4E B2RXH2 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 1/20 0.44
OGA O60502 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
GFER P55789 1/20 0.39
UGT2B7 P16662 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17541608 0.86 FFAR1 (0.44) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL277372 0.85 NPC1 (0.50) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL2175917 0.82 DYRK1A (0.46) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL21123817 0.82 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL17541595 0.82 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL24347730 0.82 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL360534 0.81 TAS1R3 (0.46) NPC1RAB9AKDM4EHKDC1TDP1
Hydrochloric Acid SCHEMBL3926923 0.81 DYRK1A (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL418266 0.80 NPC1 (0.55) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL19333368 0.79 NTRK1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP claimed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO claimed
EP-4658655-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353858-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
US-12187741-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2025-01-07 US disclosed
EP-4457224-A1 HETEROCYCLIC COMPOUNDS BeiGene Switzerland GmbH (CH) 2024-11-06 EP disclosed
US-20240327417-A1 HETEROCYCLIC COMPOUNDS BEIGENE SWITZERLAND GMBH (CH) 2024-10-03 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
WO-2024160278-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-09-27 US disclosed
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP disclosed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
CN-1110685-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1995-10-25 CN disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
CN-1053613-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1991-08-07 CN disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 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 (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-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 NPC1 2546/4885RAB9A 4795/4885KDM4E 4236/4885
US-12187741-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 NPC1 386/4885RAB9A 730/4885KDM4E 1907/4885
US-20250353858-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKK, DGKA NPC1 1930/4885RAB9A 1862/4885KDM4E 2153/4885
US-20240327417-A1 HETEROCYCLIC COMPOUNDS NFATC1, CD4, ACIN1 NPC1 1729/4885RAB9A 957/4885KDM4E 2752/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK NPC1 1908/4885RAB9A 1548/4885KDM4E 2066/4885

“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.