SCHEMBL1063569

SCHEMBL1063569

CCOC(=O)c1c(Cl)cc(CC)n(CC(=O)c2cccc(OC)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDYL2 Q8N8U2 6/20 0.48
▸ CDYL Q9Y232 5/20 0.48
▸ CDY1; CDY1B Q9Y6F8 5/20 0.48
▸ CBX7 O95931 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ ALDH1A1 P00352 2/20 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
SCHEMBL1062563 0.89 ALDH1A1 (0.44) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL1062513 0.87 KMT2A (0.51) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL10314637 0.86 CDYL2 (0.52) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL1063594 0.79 KMT2A (0.49) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL1058048 0.78 SMN1; SMN2 (0.47) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL17677357 0.78 MAPT (0.49) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL1063575 0.76 KMT2A (0.53) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL10004493 0.75 PDE4D (0.50) SMN1; SMN2NPC1MAPTRAB9ANPBWR1
SCHEMBL14780911 0.73 CA12 (0.42) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL1061180 0.73 SMO (0.56) CDYL2CDYLCDY1; CDY1BCBX7SMN1; 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-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 CDYL2 1661/4885CDYL 1321/4885CDY1; CDY1B 1350/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CDYL2 1550/4885CDYL 1296/4885CDY1; CDY1B 1594/4885

“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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