SCHEMBL691044

SCHEMBL691044

CCOC(=O)c1ncsc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TSHR P16473 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 4/20 0.42
GLP1R P43220 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
TARBP2 Q15633 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2022385 0.84 TSHR (0.44) ALDH1A1NPC1HSD17B10MAPTTP53
SCHEMBL1249727 0.82 TSHR (0.43) ALDH1A1NPC1HSD17B10MAPTTP53
SCHEMBL3333926 0.82 ALDH1A1 (0.50) ALDH1A1NPC1HSD17B10MAPTTSHR
SCHEMBL1527765 0.81 TSHR (0.42) ALDH1A1NPC1HSD17B10MAPTTP53
SCHEMBL3334719 0.81 TSHR (0.42) ALDH1A1NPC1HSD17B10MAPTTP53
SCHEMBL1179173 0.81 ALDH1A1 (0.49) ALDH1A1NPC1HSD17B10MAPTMAPK1
SCHEMBL9750587 0.81 ILK (0.43) ALDH1A1NPC1HSD17B10MAPTTP53
SCHEMBL23538248 0.79 NPSR1 (0.46) ALDH1A1MAPTMAPK1HTTNPSR1
SCHEMBL3330523 0.79 ALDH1A1 (0.44) ALDH1A1NPC1HSD17B10MAPTTP53
SCHEMBL2825669 0.79 TSHR (0.44) ALDH1A1NPC1HSD17B10MAPTTP53

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
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-2857396-B1 FUSED HETEROCYCLIC COMPOUNDS FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2018-11-21 EP disclosed
US-9120792-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-01 US disclosed
EP-2857396-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Co., Ltd (JP) 2015-04-08 EP disclosed
US-20150094329-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-02 US disclosed
US-8168642-B2 Dihydropyrimidine compounds and their uses in preparation of medicaments for treating and preventing antiviral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-05-01 US disclosed
EP-2039686-B1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) 2012-02-29 EP disclosed
US-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-04-08 US disclosed
EP-2039686-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES Beijing Molecule Science and Technology Co., Ltd. (CN) 2009-03-25 EP disclosed
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 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 (4 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 ALDH1A1 2523/4885NPC1 2482/4885HSD17B10 1800/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB ALDH1A1 4167/4885NPC1 2311/4885HSD17B10 2842/4885
US-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases DPYD, HPRT1, DHX15 ALDH1A1 424/4885NPC1 349/4885HSD17B10 1354/4885
US-20150094329-A1 FUSED HETEROCYCLIC COMPOUND CYC1, H1-0, H1-3 ALDH1A1 2414/4885NPC1 1880/4885HSD17B10 723/4885

“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.