SCHEMBL1058048

SCHEMBL1058048

CCOC(=O)c1c(O)c2c(=O)n(CC(=O)c3cccc(OC)c3)c(CC)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CDYL2 Q8N8U2 6/20 0.45
▸ CDYL Q9Y232 5/20 0.45
▸ CDY1; CDY1B Q9Y6F8 5/20 0.45
▸ CBX7 O95931 4/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL10314590 0.91 SMN1; SMN2 (0.48) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL1056839 0.89 KMT2A (0.49) NPC1MAPTRAB9APOLBKDM4E
SCHEMBL1061681 0.88 CXCR3 (0.45) SMN1; SMN2MAPTCDYL2CDYLCDY1; CDY1B
SCHEMBL1061180 0.85 SMO (0.56) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL1064236 0.81 KMT2A (0.47) NPC1MAPTRAB9APOLBKDM4E
SCHEMBL1057745 0.81 SMO (0.51) SMN1; SMN2MAPTPOLBSMO
SCHEMBL17677357 0.81 MAPT (0.49) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL10004416 0.81 MAPT (0.44) MAPTKDM4EHPGDMAPK1
SCHEMBL10005002 0.80 SMO (0.46) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL10004229 0.80 LMNA (0.50) SMN1; SMN2MAPTPOLBKDM4ELMNA

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-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-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
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — 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 (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 SMN1; SMN2 3564/4885NPC1 610/4885MAPT 4789/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMN1; SMN2 3559/4885NPC1 568/4885MAPT 4727/4885

“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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