SCHEMBL5079717

SCHEMBL5079717

O=C(O)c1cnc(CF)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
P4HA1 P13674 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
HCAR2 Q8TDS4 3/20 0.44
MIF P14174 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL8725910 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL23829753 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL186656 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL20236440 0.77 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL4886683 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL27762779 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL27976770 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL9319315 0.72 P4HA1 (0.55) ALDH1A1HSD17B10P4HA1P4HTMHCAR2
SCHEMBL10837168 0.72 HCAR3 (0.51) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL15737161 0.71 NR4A2 (0.49) P4HA1P4HTML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A ALDH1A1 3032/4885HSD17B10 2203/4885KDM4E 1501/4885

“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.