SCHEMBL5774478

SCHEMBL5774478

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)Cc1cccnc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VNN1 O95497 1/20 0.37
HTR5A P47898 3/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
PTGES O14684 1/20 0.37
AKR1C3 P42330 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5773874 0.93 MAPT (0.42) HIF1AEPAS1MAPTSMN1; SMN2VNN1
SCHEMBL5773324 0.92 CYP3A4 (0.41) MAPTHTR5AHTR1ADRD2DRD4
SCHEMBL5772985 0.91 GSK3B (0.41) SMN1; SMN2NR1H2NR1H3GPBAR1NAMPT
SCHEMBL5775722 0.85 GSK3B (0.41) SMN1; SMN2GPBAR1NAMPTFAAHS1PR1
SCHEMBL5771361 0.84 NAMPT (0.42) CYP3A4TBXAS1NAMPT
SCHEMBL5772670 0.84 POLQ (0.40) MAPTSMN1; SMN2CYP3A4TSPOS1PR1
SCHEMBL5774573 0.83 LMNA (0.40) NR1H2NR1H3FAAH
SCHEMBL5771831 0.83 HDAC8 (0.34) CYP3A4NAMPT
SCHEMBL5776662 0.81 TRPV1 (0.37) SMN1; SMN2HTR1AHTR2ACYP3A4CYP2C19
SCHEMBL5771105 0.79 GSK3B (0.39) SMN1; SMN2HTR1AHTR2ACYP3A4CYP2C19

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-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
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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR HIF1A 466/4885EPAS1 2072/4885MAPT 4701/4885

“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.