SCHEMBL2471003

SCHEMBL2471003

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.42
GRIN2B Q13224 5/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.32
USP1 O94782 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOTUM Q6P988 1/20 0.30
MAP3K11 Q16584 1/20 0.30

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
SCHEMBL2471363 0.95 GRIN1 (0.39) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL2471911 0.95 GRIN1 (0.39) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL2469750 0.94 GRIN1 (0.38) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL7070555 0.92 GRIN1 (0.35) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL7851616 0.88 GRIN1 (0.34) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL2469085 0.84 HPGD (0.39) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL7072203 0.83 PKM (0.30)
SCHEMBL6087415 0.82 GRIN1 (0.43) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL6086546 0.82 TPH1 (0.34) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL7073641 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986651-B1 USE OF A PYRIMIDINEDIONE DERIVATIVE FOR PREVENTING OR TREATING HEPATITIS C SAMJIN PHARM CO LTD (KR) 2011-10-05 EP claimed
US-7851479-B2 Use of pyrimidinedione derivative for preventing or treating hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2010-12-14 US claimed
US-20090023764-A1 Use of Pyrimidinedione Derivative for Preventing or Treating Hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2009-01-22 US claimed
EP-1986651-A1 USE OF A PYRIMIDINEDIONE DERIVATIVE FOR PREVENTING OR TREATING HEPATITIS C Samjin Pharmaceutical Co., Ltd. (KR) 2008-11-05 EP claimed
WO-2007091857-A1 USE OF A PYRIMIDINEDIONE DERIVATIVE FOR PREVENTING OR TREATING HEPATITIS C SAMJIN PHARM. CO., LTD. (KR) 2007-08-16 WO claimed
EP-1986651-B1 USE OF A PYRIMIDINEDIONE DERIVATIVE FOR PREVENTING OR TREATING HEPATITIS C SAMJIN PHARM CO LTD (KR) 2011-10-05 EP disclosed
US-7851479-B2 Use of pyrimidinedione derivative for preventing or treating hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2010-12-14 US disclosed
US-7851479-B2 Use of pyrimidinedione derivative for preventing or treating hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2010-12-14 US disclosed
US-7851479-B2 Use of pyrimidinedione derivative for preventing or treating hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2010-12-14 US disclosed
US-20090023764-A1 Use of Pyrimidinedione Derivative for Preventing or Treating Hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2009-01-22 US disclosed
US-20090023764-A1 Use of Pyrimidinedione Derivative for Preventing or Treating Hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2009-01-22 US disclosed
US-20090023764-A1 Use of Pyrimidinedione Derivative for Preventing or Treating Hepatitis C SAMJIN PHARM. CO., LTD. (KR) 2009-01-22 US disclosed
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed
EP-1100786-B1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-07-21 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-20090023764-A1 Use of Pyrimidinedione Derivative for Preventing or Treating Hepatitis C DPYD, UMPS, TYMP GRIN1 3565/4885GRIN2B 4208/4885MEN1 4693/4885

“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.