SCHEMBL5771105

SCHEMBL5771105

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)c1ccncc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLQ O75417 1/20 0.36
TRPV1 Q8NER1 8/20 0.36
KIF11 P52732 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
THRB P10828 1/20 0.34
PIM1 P11309 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
SCHEMBL5771067 0.92 HDAC8 (0.35) GSK3BHDAC8SLC22A12
SCHEMBL5772670 0.90 POLQ (0.40) GSK3BHDAC1HDAC2HDAC8POLQ
SCHEMBL5775722 0.85 GSK3B (0.41) GSK3BHDAC1HDAC2HDAC8TRPV1
SCHEMBL5772985 0.85 GSK3B (0.41) GSK3BHDAC1HDAC2HDAC8TRPV1
SCHEMBL5776431 0.83 MET (0.37) HDAC1HDAC2HDAC8NPC1RAB9A
SCHEMBL5776662 0.80 TRPV1 (0.37) HDAC1HDAC2HDAC8TRPV1SMN1; SMN2
SCHEMBL5774478 0.79 HIF1A (0.42) S1PR1SMN1; SMN2CYP3A4HTR1AHTR2A
SCHEMBL5773874 0.79 MAPT (0.42) SMN1; SMN2CYP3A4CYP2C19
SCHEMBL5774056 0.78 TRPV1 (0.38) HDAC1HDAC2HDAC8TRPV1
SCHEMBL5772669 0.78 NOS1 (0.42) GSK3BSMN1; SMN2NPC1TP53CYP1A2

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 GSK3B 1517/4885HDAC1 353/4885HDAC2 449/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GSK3B 2013/4885HDAC1 184/4885HDAC2 391/4885

“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.