SCHEMBL5776962

SCHEMBL5776962

Cc1noc(-c2ccccc2)c1CCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.51
HDAC1 Q13547 1/20 0.44
SLC6A9 P48067 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PTPN1 P18031 1/20 0.42
BRD4 O60885 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
TDO2 P48775 1/20 0.41
PTGS1 P23219 1/20 0.40
RXRA P19793 1/20 0.40

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
SCHEMBL5773143 0.90 FFAR4 (0.51) NR4A2HDAC1SLC6A9FFAR4MAPT
SCHEMBL13455 0.84 L3MBTL1 (0.45) HDAC1SLC6A9FFAR4MAPTKDM4E
SCHEMBL3984438 0.81 BRD4 (0.45) HDAC1SLC6A9FFAR4MAPTKDM4E
SCHEMBL11897018 0.80 SMN1; SMN2 (0.49) NR4A2HDAC1SLC6A9FFAR4MAPT
SCHEMBL11994167 0.78 BRD4 (0.43) HDAC1SLC6A9MAPTKDM4EBRD4
SCHEMBL3075233 0.78 ALDH1A1 (0.48) HDAC1SLC6A9MAPTKDM4EMEN1
SCHEMBL8976521 0.77 BRD4 (0.48) SLC6A9MAPTKDM4EMEN1KMT2A
SCHEMBL5533717 0.75 KMT2A (0.58) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL14792983 0.75 ALDH1A1 (0.46) SLC6A9MAPTKDM4EMEN1KMT2A
SCHEMBL14792978 0.75 PLA2G2A (0.46) HDAC1SLC6A9MAPTKDM4EMEN1

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 NR4A2 698/4885HDAC1 353/4885SLC6A9 930/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NR4A2 953/4885HDAC1 184/4885SLC6A9 713/4885

“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.