SCHEMBL13255602

SCHEMBL13255602

COC(=O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
GRM2 Q14416 3/20 0.38
PLA2G2A P14555 4/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ASPH Q12797 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
KDM8 Q8N371 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
SCHEMBL13850822 0.93 GRM2 (0.42) MAPTGRM2KDM5AKDM5BGAA
SCHEMBL13850781 0.92 MAPT (0.42) MAPTGRM2PLA2G2AFFAR4KDM5A
SCHEMBL13255607 0.91 MEN1 (0.42) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL13850747 0.91 GRM2 (0.43) MAPTGRM2GAAALDH1A1HPGD
SCHEMBL13255611 0.90 GRM2 (0.39) GRM2KDM5AKDM5BGAAKDM4E
SCHEMBL13255620 0.89 LMNA (0.40) GRM2KDM5AKDM5BALDH1A1SMN1; SMN2
SCHEMBL13850749 0.89 MAPT (0.43) MAPTGRM2PLA2G2AFFAR4KDM5A
SCHEMBL13851246 0.89 MAPT (0.39) MAPTPLA2G2AFFAR4KDM5AKDM5B
SCHEMBL13850761 0.89 MAPT (0.43) MAPTPLA2G2AFFAR4ALDH1A1HPGD
SCHEMBL14193471 0.89 MAPT (0.42) MAPTGRM2FFAR4KDM5AKDM5B

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-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
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
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP 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 MAPT 4308/4885GRM2 4122/4885PLA2G2A 4460/4885

“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.