SCHEMBL5773577

SCHEMBL5773577

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)CCc1ccncc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.35
MAPK14 Q16539 3/20 0.35
DAGLB Q8NCG7 2/20 0.35
DAGLA Q9Y4D2 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
KCNH2 Q12809 1/20 0.33
GSK3B P49841 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
GRM2 Q14416 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
EPHX2 P34913 1/20 0.31
DRD4 P21917 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL5771831 0.92 HDAC8 (0.34) NAMPTMAPK14HDAC8GSK3B
SCHEMBL5775722 0.92 GSK3B (0.41) NAMPTDAGLBDAGLAHDAC8KCNH2
SCHEMBL5771361 0.89 NAMPT (0.42) NAMPTDAGLBDAGLAGRM2
SCHEMBL5777440 0.85 HDAC8 (0.35) HDAC8HDAC4
SCHEMBL5771067 0.85 HDAC8 (0.35) MAPK14HDAC8GSK3B
SCHEMBL5772985 0.84 GSK3B (0.41) NAMPTHDAC8GSK3BHDAC1
SCHEMBL5773324 0.83 CYP3A4 (0.41) NAMPTHDAC8HDAC4HDAC1DRD4
SCHEMBL5774897 0.83 MPO (0.35) HDAC8HDAC4
SCHEMBL5777281 0.83 HDAC8 (0.34) HDAC8
SCHEMBL5773874 0.83 MAPT (0.42) NAMPTDAGLBDAGLA

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR NAMPT 2451/4885MAPK14 1376/4885DAGLB 3027/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NAMPT 2378/4885MAPK14 1203/4885DAGLB 2102/4885

“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.