SCHEMBL6794399

SCHEMBL6794399

CSc1ccc2cc[nH]c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
TYMS P04818 1/20 0.50
CHEK1 O14757 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ROCK2 O75116 4/20 0.41
ATIC P31939 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GRM5 P41594 1/20 0.38
MAPK14 Q16539 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
DAPK3 O43293 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
SCHEMBL7261360 0.89 TYMS (0.43) PARP1TYMSCHEK1KDM4EALDH1A1
SCHEMBL24347857 0.87 PARP1 (0.52) PARP1TYMSKDM4EALDH1A1GAA
SCHEMBL1536379 0.77 PARP1 (0.53) PARP1TYMSCHEK1ROCK2ATIC
SCHEMBL31038353 0.77 PARP1 (0.53) PARP1TYMSCHEK1ROCK2ATIC
SCHEMBL16294025 0.75 MAOB (0.50) PARP1ROCK2GRM5
SCHEMBL30563590 0.75 MAOB (0.50) PARP1ROCK2GRM5
SCHEMBL13409641 0.74 PARP1 (0.50) PARP1CHEK1KDM4EALDH1A1HPGD
SCHEMBL12320515 0.73 TYMS (0.44) TYMSKDM4EALDH1A1GAAMAPT
SCHEMBL1536457 0.73 CHEK1 (0.77) PARP1TYMSCHEK1ALDH1A1ROCK2
SCHEMBL1868599 0.73 AHR (0.53) PARP1TYMSCHEK1MAPK14DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122223-A1 Non-natural nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2004-06-24 US disclosed
EP-1368366-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2003-12-10 EP disclosed
WO-2002062816-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2002-08-15 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-20040122223-A1 Non-natural nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 PARP1 543/4885TYMS 538/4885CHEK1 2444/4885

“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.