SCHEMBL3250771

SCHEMBL3250771

CC1SC(c2cccnc2)N(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
THPO P40225 1/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL3250767 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL3250768 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652240 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652237 1.00 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL29358906 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793245 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793249 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793247 0.98 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL11059909 0.82 CYP3A4 (0.43) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652192 0.81 MAPT (0.45) KDM4ENPSR1CYP3A4THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 2009-11-19 US claimed
US-20050032844-A1 Screening for substances that regulate the metabolic conversion of nicotine to cotinine such as enzyme inhibiters of CYP2A6, a member of the cytochrome P450 (CYP) system and the major nicotine metabolizing enzyme in human livers; also assaying for selective inhibitors of the gene expression of CYP2A6 NICOGEN, INC. (CA) 2005-02-10 US claimed
EP-0954304-A2 METHODS FOR REGULATING NICOTINE METABOLISM Nicogen Inc. (CA) 1999-11-10 EP claimed
WO-1998003171-A2 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 1998-01-29 WO claimed
US-4992455-A Cardiovascular disorders SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-02-12 US claimed
JP-9208493-A None JP disclosed
JP-4095092-A None JP disclosed
JP-7206859-A None JP disclosed
JP-1279882-A None JP disclosed
EP-1033979-B2 COMBINATION OF CYP2A6 ENZYME INHIBITORS AND NICOTINE AND THEIR THERAPEUTIC USE NICOGEN INC (CA) 2010-02-24 EP disclosed
US-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 2009-11-19 US disclosed
US-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 2009-11-19 US disclosed
EP-0292305-B1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES AND ACID ADDITION SALTS THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-29 EP disclosed
US-5106860-A Treating inflammation, circulatory disease, gastrointestinal ulceration, allergies SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-21 US disclosed
JP-H0495092-A PRODUCTION OF (+)-CIS-3,5-DIMETHYL-2-(3-PYRIDYL)THIAZOLIDIN-4-ONE SUMITOMO CHEM CO LTD 1992-03-27 JP disclosed
US-5021435-A Administering to a patient suffering from an ulcer caused by stress or gastric acid SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-06-04 US disclosed
US-4992455-A Cardiovascular disorders SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-02-12 US disclosed
JP-H01279882-A NOVEL THIAZOLIDINE-4-ONE DERIVATIVE AND ACID ADDITION SALT THEREOF SUMITOMO PHARMACEUT CO LTD 1989-11-10 JP disclosed
EP-0325496-A1 2-Pyridyl thiazolidin-4-one derivatives as anti-ulcer agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-07-26 EP disclosed
EP-0292305-A1 Novel thiazolidin-4-one derivatives and acid addition salts thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-11-23 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 (1 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-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM CYP2A6, CYP2B6, CYP2D6 KDM4E 2189/4885NPSR1 1206/4885CYP3A4 23/4885

“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.