SCHEMBL5774897

SCHEMBL5774897

CCN(CC)CCCN(CCCc1cnoc1-c1ccc(F)cc1)C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
HDAC8 Q9BY41 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.34
PLA2G7 Q13093 5/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5777281 0.90 HDAC8 (0.34) HDAC8ALDH1A1HSD17B10KMT2ACYP3A4
SCHEMBL5777440 0.88 HDAC8 (0.35) HDAC8HDAC4PLA2G7CYP3A4
SCHEMBL5774087 0.85 CNR1 (0.36) HDAC8
SCHEMBL5775799 0.85 HDAC8 (0.34) HDAC8PLA2G7
SCHEMBL5773577 0.83 NAMPT (0.35) HDAC8HDAC4
SCHEMBL5774678 0.82 MAPT (0.42) ALDH1A1LMNAKMT2ACYP3A4CYP2D6
SCHEMBL5775533 0.82 HDAC8 (0.33) HDAC8HDAC4PLA2G7
SCHEMBL5773350 0.82 TSHR (0.40) MPOALDH1A1LMNAPLA2G7CYP3A4
SCHEMBL5773778 0.81 PLA2G7 (0.36) HDAC8ALDH1A1HDAC4HDAC2HDAC6
SCHEMBL5774849 0.81 HDAC4 (0.33) HDAC8ALDH1A1HDAC4HDAC6LMNA

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 MPO 1350/4885HDAC8 639/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MPO 2320/4885HDAC8 569/4885ALDH1A1 682/4885

“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.