SCHEMBL10314548

SCHEMBL10314548

COc1ccc(Cn2c(=O)c3c(O)c(C=O)sc3c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.53
▸ ERCC5 P28715 3/20 0.49
▸ FEN1 P39748 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPK1 P28482 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ BLM P54132 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL1060496 0.81 FEN1 (0.56) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL1062135 0.78 P2RX4 (0.54) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL10314592 0.78 P2RX4 (0.53) P2RX4TDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL1062586 0.75 FEN1 (0.52) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL12962745 0.75 ALDH1A1 (0.49) SMN1; SMN2POLBGAAMAPTKMT2A
SCHEMBL12962916 0.74 P2RX4 (0.62) P2RX4TDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL12932652 0.73 NOD2 (0.48) P2RX4FEN1MAPK1GAAKMT2A
SCHEMBL10314593 0.72 P2RX4 (0.54) P2RX4TDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL13440814 0.71 P2RX4 (0.53) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL12932654 0.71 ALDH1A1 (0.50) P2RX4ERCC5FEN1TDP1SMN1; SMN2

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-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 P2RX4 2153/4885ERCC5 4343/4885FEN1 4451/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 P2RX4 2459/4885ERCC5 4301/4885FEN1 4511/4885

“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.

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