SCHEMBL5776431

SCHEMBL5776431

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)c1ccc2ncccc2c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.37
TRPM8 Q7Z2W7 3/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC2 Q92769 1/20 0.34
TSPO P30536 1/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
MDM2 Q00987 1/20 0.32
MCL1 Q07820 1/20 0.32
TOP1 P11387 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL5770760 0.92 MAPK1 (0.35) METHDAC8CCNCCDK8NPC1
SCHEMBL5772670 0.83 POLQ (0.40) HDAC1HDAC8HDAC2TSPONPC1
SCHEMBL5771105 0.83 GSK3B (0.39) HDAC1HDAC8HDAC2NPC1RAB9A
SCHEMBL5775478 0.81 HTT (0.38) METTRPM8HDAC1HDAC8HDAC2
Trifluoroacetic Acid SCHEMBL5776422 0.77 MCHR1 (0.46) HDAC1HDAC8HDAC2NPC1POLB
SCHEMBL5774573 0.76 LMNA (0.40) TRPM8HDAC1HDAC8HDAC2NPC1
SCHEMBL5771067 0.75 HDAC8 (0.35) HDAC8
SCHEMBL5774478 0.74 HIF1A (0.42) TSPOMAPT
SCHEMBL5773874 0.74 MAPT (0.42) TSPOMAPT
SCHEMBL5775722 0.73 GSK3B (0.41) HDAC1HDAC8HDAC2HDAC4

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 MET 746/4885TRPM8 3362/4885HDAC1 353/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MET 673/4885TRPM8 4200/4885HDAC1 184/4885

“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.