SCHEMBL13850822

SCHEMBL13850822

COc1c(C(=O)O)cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.42
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MCHR1 Q99705 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
KDM8 Q8N371 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PTPN1 P18031 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DHODH Q02127 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL13255611 0.94 GRM2 (0.39) GRM2KDM5AKDM5BGAASMN1; SMN2
SCHEMBL13255620 0.93 LMNA (0.40) GRM2KDM5AKDM5BMCHR1SMN1; SMN2
SCHEMBL13255602 0.93 MAPT (0.42) GRM2KDM5AKDM5BGAASMN1; SMN2
SCHEMBL13255420 0.92 GRM2 (0.42) GRM2KDM5AKDM5BMCHR1CNR1
SCHEMBL13255616 0.92 GRM2 (0.37) GRM2KDM5AKDM5BGAAKDM4E
SCHEMBL13926100 0.91 GRM2 (0.41) GRM2KDM5AKDM5BMCHR1SMN1; SMN2
SCHEMBL13255544 0.91 GRM2 (0.43) GRM2MCHR1CNR1CNR2
SCHEMBL13255607 0.91 MEN1 (0.42) GAASMN1; SMN2KDM4EMAPT
SCHEMBL13875961 0.90 GRM2 (0.39) GRM2KDM5AKDM5BGAASMN1; SMN2
SCHEMBL13255517 0.90 GRM2 (0.41) GRM2KDM5AKDM5BMCHR1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 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 (1 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 GRM2 4122/4885KDM5A 1840/4885KDM5B 1450/4885

“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.