SCHEMBL13850804

SCHEMBL13850804

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 4/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
PLA2G2A P14555 1/20 0.35
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
VNN1 O95497 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MCHR1 Q99705 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
SCHEMBL3866625 0.89 MAPT (0.39) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13850799 0.89 MAPT (0.42) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13850757 0.88 MAPT (0.43) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13875850 0.87 MAPT (0.41) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13850758 0.86 HPGD (0.44) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13875861 0.85 MAPT (0.39) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13850797 0.85 MAPT (0.39) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13850749 0.85 MAPT (0.43) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL13850837 0.85 FFAR4 (0.45) MAPTGRM2FFAR4CNR1CNR2
SCHEMBL13850839 0.85 CYP11B1 (0.39) MAPTHPGDALDH1A1SMN1; SMN2NPSR1

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 MAPT 4308/4885HPGD 3035/4885ALDH1A1 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.