SCHEMBL5774849

SCHEMBL5774849

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)CCNc1ccccc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
FAAH O00519 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KCNH2 Q12809 2/20 0.31
ASAH1 Q13510 2/20 0.31
MAPK14 Q16539 1/20 0.31
MAPT P10636 1/20 0.31
AURKA O14965 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL5775561 0.91 FAAH (0.39) HDAC4HDAC1HDAC6HDAC8FAAH
SCHEMBL5774087 0.85 CNR1 (0.36) HDAC8FAAHHCRTR1HCRTR2
SCHEMBL5777440 0.83 HDAC8 (0.35) HDAC4HDAC8KDM4EHCRTR1HCRTR2
SCHEMBL5777281 0.81 HDAC8 (0.34) HDAC8KMT2AKDM4EALDH1A1
SCHEMBL5774897 0.81 MPO (0.35) HDAC4HDAC6HDAC8LMNAKMT2A
SCHEMBL5773577 0.80 NAMPT (0.35) HDAC4HDAC1HDAC8KCNH2MAPK14
SCHEMBL5775799 0.80 HDAC8 (0.34) HDAC8
SCHEMBL5771361 0.80 NAMPT (0.42)
SCHEMBL5770602 0.80 ALDH1A1 (0.36) HDAC1LMNAKMT2ANPC1RAB9A
SCHEMBL5773778 0.79 PLA2G7 (0.36) HDAC4HDAC1HDAC6HDAC8KCNH2

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 HDAC4 434/4885HDAC1 353/4885HDAC6 1324/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HDAC4 497/4885HDAC1 184/4885HDAC6 1224/4885

“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.