SCHEMBL13655524

SCHEMBL13655524

O=CCNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.64
CSNK2A1 P68400 4/20 0.64
CSNK2A2 P19784 1/20 0.64
CSNK2B P67870 1/20 0.64
IMPDH2 P12268 1/20 0.40
KDM4E B2RXH2 6/20 0.38
GAA P10253 5/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 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
SCHEMBL13687980 0.85 PARP1 (0.62) PARP1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL10132659 0.85 PARP1 (0.69) PARP1CSNK2A1CSNK2A2CSNK2BIMPDH2
SCHEMBL10132620 0.84 PARP1 (0.64) PARP1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL10132666 0.83 PARP1 (0.66) PARP1CSNK2A1CSNK2A2CSNK2BIMPDH2
SCHEMBL10132633 0.82 PARP1 (0.65) PARP1CSNK2A1CSNK2A2CSNK2BIMPDH2
SCHEMBL10132586 0.82 PARP1 (0.61) PARP1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL10132625 0.82 PARP1 (0.61) PARP1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL13648691 0.82 PARP1 (0.71) PARP1CSNK2A1CSNK2A2CSNK2BIMPDH2
SCHEMBL10132580 0.81 PARP1 (0.60) PARP1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL10132650 0.80 PARP1 (0.59) PARP1CSNK2A1CSNK2A2CSNK2BIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264423-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-10-22 US 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-20090264423-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS PACSIN2, TNKS, PARP1 PARP1 3/4885CSNK2A1 24/4885CSNK2A2 37/4885

“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.