SCHEMBL5773874

SCHEMBL5773874

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)CCc1cccnc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
TBXAS1 P24557 8/20 0.38
VNN1 O95497 1/20 0.37
DAGLB Q8NCG7 2/20 0.37
DAGLA Q9Y4D2 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTAFR P25105 1/20 0.36
TSPO P30536 1/20 0.35
FAAH O00519 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL5774478 0.93 HIF1A (0.42) MAPTSMN1; SMN2HIF1AEPAS1TBXAS1
SCHEMBL5771361 0.92 NAMPT (0.42) TBXAS1DAGLBDAGLACYP3A4PTAFR
SCHEMBL5775722 0.91 GSK3B (0.41) SMN1; SMN2DAGLBDAGLAFAAHNAMPT
SCHEMBL5772985 0.85 GSK3B (0.41) SMN1; SMN2FAAHNAMPT
SCHEMBL5773324 0.84 CYP3A4 (0.41) MAPTTBXAS1CYP3A4PTAFRNAMPT
SCHEMBL5772670 0.84 POLQ (0.40) MAPTSMN1; SMN2CYP3A4TSPO
SCHEMBL5773577 0.83 NAMPT (0.35) DAGLBDAGLANAMPT
SCHEMBL5776662 0.82 TRPV1 (0.37) SMN1; SMN2CYP3A4CYP2C19
SCHEMBL5774056 0.81 TRPV1 (0.38) FAAH
SCHEMBL5775561 0.80 FAAH (0.39) MAPTFAAH

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 MAPT 4701/4885SMN1; SMN2 3383/4885HIF1A 466/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885SMN1; SMN2 2449/4885HIF1A 210/4885

“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.