SCHEMBL259248

SCHEMBL259248

COC(=O)c1cccc(-c2nc3ccc(O)cc3c(=O)[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.58
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
GUSB P08236 3/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL13298758 0.87 TNKS (0.72) TNKSERCC1FEN1ERCC4GUSB
SCHEMBL259270 0.85 TNKS (0.54) TNKSGUSBNPC1RAB9APARP1
SCHEMBL259526 0.78 TNKS (0.59) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL259542 0.78 KDM4E (0.56) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL22287932 0.77 RAB9A (0.54) TNKSERCC1FEN1ERCC4NPC1
SCHEMBL273167 0.76 GUSB (0.51) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL4939590 0.76 ALOX15 (0.51) TNKSNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL277488 0.76 TNKS (0.51) TNKSGUSBCYP1A1CYP1B1CYP1A2
SCHEMBL3335676 0.76 KDM4E (0.74) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4741302 0.76 CDK8 (0.49) TNKSERCC1FEN1ERCC4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885ERCC1 3765/4885FEN1 3262/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885ERCC1 3765/4885FEN1 3262/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885ERCC1 3765/4885FEN1 3262/4885

“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.