SCHEMBL5772947

SCHEMBL5772947

O=C(CCc1cnoc1-c1ccc(F)cc1)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
HDAC6 Q9UBN7 8/20 0.46
HDAC1 Q13547 7/20 0.46
FFAR1 O14842 1/20 0.46
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5777386 0.91 LMNA (0.47) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL5774003 0.89 MGLL (0.50) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL5771183 0.83 ROCK2 (0.45) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5771249 0.81 RAB9A (0.51) HDAC1HDAC2GAAMAPTKMT2A
SCHEMBL5776674 0.80 SMN1; SMN2 (0.46) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL5773606 0.80 MAPT (0.48) HDAC1GAAMAPTMEN1KMT2A
SCHEMBL5772972 0.80 RAB9A (0.50) MEN1KMT2AMAPK1HTT
SCHEMBL5770399 0.80 MAPT (0.40) GAAMAPTKMT2ACNR1HTT
Trifluoroacetic Acid SCHEMBL5775470 0.79 CNR2 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5770402 0.79 MAPT (0.39) HDAC1GAAMAPTMEN1KMT2A

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 MGLL 3212/4885HDAC6 1324/4885HDAC1 353/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MGLL 2781/4885HDAC6 1224/4885HDAC1 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.