SCHEMBL5605046

SCHEMBL5605046

O=C1CCCN1c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.40
F10 P00742 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NR1I2 O75469 1/20 0.39
AKR1C3 P42330 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3668110 0.95 HPGD (0.42) HPGDL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL8496732 0.89 CHRNA7 (0.42) HPGDCHRNA7PDE4APDE4BPDE4C
SCHEMBL28581938 0.77 NR1I2 (0.44) HPGDALDH1A1CHRNA7PDE4APDE4B
SCHEMBL4327657 0.74 CHRNA7 (0.38) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6796982 0.74 TSHR (0.51) HPGDL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL30300654 0.74 CHRNA7 (0.41) HPGDALDH1A1CYP1A2CYP2C19CHRNA7
Hydrochloric Acid SCHEMBL1583186 0.73 SLC6A2 (0.38) HPGDALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27464474 0.72 NR1I2 (0.39) HPGDL3MBTL1ALDH1A1CHRNA7NR1I2
SCHEMBL21047585 0.71 NR1I2 (0.37) HPGDALDH1A1CHRNA7PDE4APDE4B
SCHEMBL14456238 0.71 PDE4A (0.38) HPGDL3MBTL1ALDH1A1CHRNA7F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478179-B Thienopyrrolidone derivative as well as preparation method and application thereof 平湖市浙江工业大学新材料研究院 2024-12-06 CN claimed
CN-116478179-A Thienopyrrolidone derivative as well as preparation method and application thereof 平湖市浙江工业大学新材料研究院 2023-07-25 CN claimed
CN-116478179-B Thienopyrrolidone derivative as well as preparation method and application thereof 平湖市浙江工业大学新材料研究院 2024-12-06 CN disclosed
CN-116478179-B Thienopyrrolidone derivative as well as preparation method and application thereof 平湖市浙江工业大学新材料研究院 2024-12-06 CN disclosed
CN-116478179-B Thienopyrrolidone derivative as well as preparation method and application thereof 平湖市浙江工业大学新材料研究院 2024-12-06 CN disclosed
CN-117510800-A Preparation method of thienopyrrole diketone polymer 大连理工大学 2024-02-06 CN disclosed
CN-116751190-A Sulfonyl derivative organic luminescent material and preparation method and application thereof 华南理工大学 2023-09-15 CN disclosed
CN-116606284-A Benzophenone derivative organic luminescent material and preparation method and application thereof 华南理工大学 2023-08-18 CN disclosed
CN-115286774-B Double-cable polymer containing thienopyrrolidone side chain groups, and preparation method and application thereof 北京化工大学 2023-08-11 CN disclosed
CN-115286774-B Double-cable polymer containing thienopyrrolidone side chain groups, and preparation method and application thereof 北京化工大学 2023-08-11 CN disclosed
CN-115286774-B Double-cable polymer containing thienopyrrolidone side chain groups, and preparation method and application thereof 北京化工大学 2023-08-11 CN disclosed
CN-1440412-A Thienopyrrolidinones HOFFMANN LA ROCHE (CH) 2003-09-03 CN disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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 (2 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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 HPGD 613/4885L3MBTL1 1527/4885ALDH1A1 26/4885
US-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A HPGD 85/4885L3MBTL1 1813/4885ALDH1A1 2036/4885

“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.