SCHEMBL5777451

SCHEMBL5777451

CCOP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(Br)cc2)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ENTPD1 P49961 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FPR2 P25090 4/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL5777014 0.91 MEN1 (0.46) MEN1KMT2ALTA4HEPHX2KDM4E
SCHEMBL5771359 0.91 MEN1 (0.40) MEN1KMT2ALTA4HEPHX2ENTPD1
SCHEMBL5771726 0.91 LTA4H (0.46) MEN1KMT2ALTA4HEPHX2KDM4E
SCHEMBL5773001 0.89 LTA4H (0.38) MEN1KMT2ALTA4HEPHX2KDM4E
SCHEMBL5775867 0.89 TP53 (0.46) LTA4HEPHX2MAPTLMNASMN1; SMN2
SCHEMBL5776175 0.89 LTA4H (0.38) MEN1KMT2ALTA4HEPHX2ENTPD1
SCHEMBL5773241 0.89 BTK (0.39) MEN1KMT2ALTA4HEPHX2KDM4E
SCHEMBL5774530 0.88 BTK (0.38) MEN1KMT2ALTA4HEPHX2KDM4E
SCHEMBL5776568 0.88 LMNA (0.38) MEN1KMT2ALTA4HEPHX2KDM4E
SCHEMBL5773486 0.88 MAPT (0.41) MEN1KMT2ALTA4HEPHX2HPGD

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 MEN1 2811/4885KMT2A 3907/4885LTA4H 3298/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885LTA4H 3891/4885

“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.