SCHEMBL5200436

SCHEMBL5200436

O=C(O)Cc1cc[nH]c(=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GABRR1 P24046 2/20 0.36
NFKB1 P19838 2/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRR2 P28476 1/20 0.36
GABRA4 P48169 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PMP22 Q01453 1/20 0.35
LMNA P02545 2/20 0.35
AKR1B1 P15121 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL6364189 0.83 HTT (0.35) GAA
SCHEMBL8678419 0.78
SCHEMBL7952232 0.77 GABRA5 (0.35) GABRA5GABRB2HSD17B10ALDH1A1GABRR1
SCHEMBL14639405 0.74
SCHEMBL14605260 0.74
SCHEMBL2349754 0.74
SCHEMBL16043960 0.72 FEN1 (0.46) HSD17B10ALDH1A1CYP3A4KDM4ECYP2C19
SCHEMBL13161713 0.71 BACE1 (0.41) HSD17B10MAPTKDM4ELMNAPOLB
SCHEMBL1004805 0.70 KCNH2 (0.55) NPC1RAB9A
SCHEMBL8143696 0.70 PARP1 (0.45) PARP1MAPTGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-7232902-B2 Process to prepare (1-carboxymethyl)-pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-19 US disclosed
US-20030105286-A1 Linked peptide nucleic acids EGHOLM MICHAEL (US) 2003-06-05 US disclosed
US-6441130-B1 FORM TRIPLE STRANDED STRUCTURES WITH NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 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 (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-20030105286-A1 Linked peptide nucleic acids RNGTT, NT5C3B, DPYD GABRA5 3534/4885GABRB2 2513/4885HSD17B10 4669/4885

“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.