SCHEMBL225565

SCHEMBL225565

O=CC(C=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.43
KCNA5 P22460 5/20 0.42
KCNE1 P15382 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
POLB P06746 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
SCHEMBL9287991 0.88 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL11877966 0.78 KDM4E (0.49) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL542583 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL702800 0.78 CYP3A4 (0.46) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL21495073 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL4420495 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL11800360 0.77 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
Bromide SCHEMBL22094891 0.77 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
Bromide SCHEMBL1696091 0.77 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL9185638 0.75 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874722-B Moisture-heat-resistant epoxy conductive adhesive, preparation method and application thereof 东莞市德聚胶接技术有限公司 2023-01-10 CN claimed
CN-114874722-A Moisture-heat-resistant epoxy conductive adhesive, preparation method and application thereof 东莞市德聚胶接技术有限公司 2022-08-09 CN claimed
EP-1738646-B1 Forming germicidal aromatic dialdehydes with acetals ETHICON INC (US) 2013-03-20 EP claimed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US claimed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US claimed
EP-1738646-A2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-01-03 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114874722-A Moisture-heat-resistant epoxy conductive adhesive, preparation method and application thereof 东莞市德聚胶接技术有限公司 2022-08-09 CN disclosed
CN-111499865-B Synthesis method of phosphorus-containing polyimide 湘潭大学 2022-04-26 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2021-09-21 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
WO-2000018776-A1 DIMERIC DIIMINE TRANSITION METAL COMPLEX AND CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-04-06 WO disclosed
US-4310670-A Low-temperature, aqueous conversion of 4-picoline derivative to 5-cyano-[3,4'-bipyridin]-6(1H)-one STERLING DRUG INC. (US) 1982-01-12 US disclosed
US-4264609-A N-[3-Dimethylamino-2-(4-pyridinyl)-2-propenylidene]-N-methylmethaniminium chloride hydrochloride, its use in preparing 5-(cyano or carbamyl)-[3,4'-bipyridin]-6(1H)-one and its use as a cardiotonic STERLING DRUG INC. (US) 1981-04-28 US disclosed
US-4223149-A Process for producing 3-cyano-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1980-09-16 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 (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-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR SLC6A3 3382/4885SLC6A2 4589/4885SLC6A4 4599/4885
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT SLC6A3 736/4885SLC6A2 105/4885SLC6A4 993/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B SLC6A3 1227/4885SLC6A2 1836/4885SLC6A4 2697/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT SLC6A3 736/4885SLC6A2 105/4885SLC6A4 993/4885

“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.