SCHEMBL13850796

SCHEMBL13850796

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G2A P14555 1/20 0.34
GRM5 P41594 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13850799 0.88 MAPT (0.42) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13850757 0.87 MAPT (0.43) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13851319 0.87 GRM2 (0.40) GRM2MAPTALDH1A1CNR1CNR2
SCHEMBL13875850 0.86 MAPT (0.41) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13850747 0.85 GRM2 (0.43) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13850797 0.85 MAPT (0.39) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13875861 0.85 MAPT (0.39) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13850750 0.84 MAPT (0.44) GRM2MAPTALDH1A1HPGDKDM4E
SCHEMBL13850809 0.84 MAOB (0.41) GRM2MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL13850749 0.84 MAPT (0.43) GRM2MAPTALDH1A1HPGDKDM4E

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-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 4122/4885MAPT 4308/4885ALDH1A1 381/4885

“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.