SCHEMBL5772670

SCHEMBL5772670

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)c1cccnc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.40
CYP3A4 P08684 9/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSPO P30536 1/20 0.37
S1PR1 P21453 1/20 0.36
NPC1 O15118 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GSK3B P49841 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL5771105 0.90 GSK3B (0.39) POLQCYP3A4SMN1; SMN2S1PR1NPC1
SCHEMBL5773874 0.84 MAPT (0.42) CYP3A4MAPTSMN1; SMN2TSPO
SCHEMBL5774478 0.84 HIF1A (0.42) CYP3A4MAPTSMN1; SMN2TSPOS1PR1
SCHEMBL5776431 0.83 MET (0.37) MAPTTSPONPC1HDAC1HDAC2
SCHEMBL5771067 0.82 HDAC8 (0.35) HDAC8GSK3B
SCHEMBL5772985 0.79 GSK3B (0.41) SMN1; SMN2S1PR1HDAC1HDAC2HDAC8
SCHEMBL5775722 0.79 GSK3B (0.41) SMN1; SMN2S1PR1HDAC1HDAC2HDAC8
SCHEMBL5907124 0.77 FAAH (0.36) POLQHDAC1HDAC2HDAC8TRPV1
SCHEMBL5776662 0.77 TRPV1 (0.37) CYP3A4SMN1; SMN2NPC1HDAC1HDAC2
SCHEMBL5774573 0.76 LMNA (0.40) NPC1HDAC1HDAC2HDAC8GSK3B

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 POLQ 4531/4885CYP3A4 39/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 POLQ 4458/4885CYP3A4 76/4885MAPT 4763/4885

“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.