SCHEMBL5774573

SCHEMBL5774573

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)Cc1ccccn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
HDAC1 Q13547 3/20 0.35
SCN9A Q15858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
FAAH O00519 1/20 0.33
SORT1 Q99523 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MLYCD O95822 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL5770602 0.92 ALDH1A1 (0.36) LMNAKMT2ANR1H2NR1H3HDAC1
SCHEMBL5772985 0.85 GSK3B (0.41) NR1H2NR1H3HDAC1HDAC2HDAC8
SCHEMBL5774478 0.83 HIF1A (0.42) NR1H2NR1H3FAAH
SCHEMBL5775722 0.81 GSK3B (0.41) HDAC1HDAC2HDAC8FAAHTRPV1
SCHEMBL5776662 0.81 TRPV1 (0.37) LMNAHDAC1HDAC2HDAC8NPC1
SCHEMBL5775561 0.80 FAAH (0.39) LMNAHDAC1HDAC2HDAC8FAAH
SCHEMBL5907124 0.80 FAAH (0.36) NR1H2NR1H3HDAC1HDAC2HDAC8
SCHEMBL5773874 0.80 MAPT (0.42) FAAH
SCHEMBL5774056 0.79 TRPV1 (0.38) HDAC1HDAC2HDAC8FAAHTRPV1
SCHEMBL5771105 0.77 GSK3B (0.39) LMNAHDAC1HDAC2HDAC8NPC1

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 LMNA 2770/4885PKM 2534/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885PKM 1824/4885KMT2A 2906/4885

“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.