SCHEMBL10314637

SCHEMBL10314637

CCc1cc(Cl)c(C)c(=O)n1CC(=O)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDYL2 Q8N8U2 7/20 0.52
▸ CDYL Q9Y232 6/20 0.52
▸ CDY1; CDY1B Q9Y6F8 6/20 0.52
▸ CBX7 O95931 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 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
SCHEMBL1063569 0.86 CDYL2 (0.48) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL17677357 0.76 MAPT (0.49) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL12963052 0.74 SMN1; SMN2 (0.45) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL1058048 0.74 SMN1; SMN2 (0.47) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL10314590 0.74 SMN1; SMN2 (0.48) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL14780911 0.73 CA12 (0.42) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL1062513 0.72 KMT2A (0.51) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL12963043 0.71 LMNA (0.43) NPC1MAPTRAB9APOLBCA12
SCHEMBL15030495 0.69 CDYL2 (0.54) CDYL2CDYLCDY1; CDY1BCBX7SMN1; SMN2
SCHEMBL733307 0.69 CES2 (0.67) SMN1; SMN2NPC1MAPTRAB9AKDM4E

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 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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