SCHEMBL1062135

SCHEMBL1062135

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.54
▸ ERCC5 P28715 3/20 0.50
▸ FEN1 P39748 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ EDNRB P24530 1/20 0.49
▸ CHRM1 P11229 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ CCR2 P41597 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL12932654 0.93 ALDH1A1 (0.50) P2RX4ERCC5FEN1TDP1EDNRB
SCHEMBL1062586 0.88 FEN1 (0.52) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL1061988 0.83 PGR (0.50) SMN1; SMN2MAPK1POLBTP53LMNA
SCHEMBL1060234 0.83 FEN1 (0.46) FEN1SMN1; SMN2MAPK1TP53LMNA
SCHEMBL1062376 0.83 P2RX4 (0.44) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL1063182 0.82 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2MAPK1POLBGAA
SCHEMBL12932653 0.82 NOD2 (0.47) P2RX4FEN1TDP1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL1062671 0.82 P2RX4 (0.44) P2RX4ERCC5FEN1TDP1L3MBTL1
SCHEMBL1060900 0.82 SMN1; SMN2 (0.55) SMN1; SMN2TP53
SCHEMBL1064517 0.81 ALDH1A1 (0.44) P2RX4ERCC5FEN1CHRM1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
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-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
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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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