SCHEMBL4832753

SCHEMBL4832753

CSc1ccc(-n2c(-c3ccc(Cl)cc3)cc(=O)[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.42
GSK3B P49841 1/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNA7 P36544 1/20 0.36
MDM2 Q00987 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4837329 0.88 ATM (0.43) SMN1; SMN2MAPTATMKMT2ATSHR
SCHEMBL4836000 0.88 ATM (0.43) SMN1; SMN2MAPTATMKMT2ATSHR
SCHEMBL4842098 0.86 HPGD (0.42) ATMTSHRPTGS1PTGS2
SCHEMBL4837510 0.86 ATM (0.39) MAPTATMTSHRNPC1RAB9A
SCHEMBL4840819 0.86 PTGS2 (0.44) SMN1; SMN2MAPTGSK3BATMKMT2A
SCHEMBL4838223 0.86 PTGS2 (0.44) SMN1; SMN2MAPTGSK3BATMPOLB
SCHEMBL4832608 0.85 ATM (0.39) SMN1; SMN2MAPTATMTSHRPTGS1
SCHEMBL4832979 0.85 ATM (0.39) SMN1; SMN2MAPTATMPOLBKMT2A
SCHEMBL4842060 0.84 PTGS2 (0.39) SMN1; SMN2MAPTATMPOLBKMT2A
SCHEMBL4839447 0.82 ATM (0.39) SMN1; SMN2MAPTGSK3BATMTSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US claimed
US-7101873-B2 Pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-09-05 US claimed
US-20060194799-A1 Novel pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-08-31 US claimed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 US claimed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO claimed
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US disclosed
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US disclosed
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US disclosed
US-7101873-B2 Pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-09-05 US disclosed
US-20060194799-A1 Novel pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-08-31 US disclosed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 US disclosed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 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-20040009975-A1 Novel pyrimidinedione derivatives TYMS, DPYD, TYMP SMN1; SMN2 2447/4885MAPT 52/4885GSK3B 1403/4885
US-20060194799-A1 Novel pyrimidinedione derivatives TYMS, TYMP, DPYD SMN1; SMN2 2700/4885MAPT 48/4885GSK3B 1447/4885

“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.