SCHEMBL823588

SCHEMBL823588

CCOP(=O)(Cc1ccc2nc(C(=O)OC)c(O[Si](C)(C)C(C)(C)C)c(=O)n2c1)OCC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
NPY5R Q15761 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
HDAC1 Q13547 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL823454 0.85 KDM4E (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2GLA
SCHEMBL823653 0.83 KDM4E (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2GLA
SCHEMBL823447 0.79 KDM4E (0.56) KDM4EALDH1A1RAB9ASMN1; SMN2GLA
SCHEMBL823598 0.78 KDM4E (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2GLA
SCHEMBL823445 0.78 SMN1; SMN2 (0.41) SMN1; SMN2TSHR
SCHEMBL823577 0.75 KDM4E (0.36) KDM4EALDH1A1RAB9ASMN1; SMN2GLA
SCHEMBL823594 0.71 KDM4E (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2GLA
SCHEMBL2327880 0.70 DRD2 (0.42) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL24598776 0.67 PREP (0.41) NPY5RHDAC1
SCHEMBL12638599 0.66 ALDH1A1 (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885RAB9A 2559/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885RAB9A 2559/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885RAB9A 2559/4885

“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.