SCHEMBL5776674

SCHEMBL5776674

COc1cc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5773119 0.90 MAPT (0.55) SMN1; SMN2TP53GAAHTTLMNA
SCHEMBL5777386 0.83 LMNA (0.47) SMN1; SMN2GAAHTTLMNAKMT2A
SCHEMBL5773931 0.81 CYP11B1 (0.44) LMNAKMT2AMEN1MAPTL3MBTL1
SCHEMBL5770235 0.80 MCHR1 (0.40) SMN1; SMN2TP53GAAHTTKMT2A
SCHEMBL5772947 0.80 MGLL (0.47) GAAHTTKMT2AMEN1MAPK1
SCHEMBL5773575 0.80 ALDH1A1 (0.56) SMN1; SMN2GAALMNAKMT2AMEN1
SCHEMBL5773332 0.80 CNR2 (0.51) SMN1; SMN2TP53HTTLMNAKMT2A
SCHEMBL5769962 0.78 SMN1; SMN2 (0.41) SMN1; SMN2TP53LMNAKMT2AMEN1
SCHEMBL5772972 0.78 RAB9A (0.50) SMN1; SMN2TP53HTTKMT2AMEN1
SCHEMBL5775822 0.78 HPGD (0.49) SMN1; SMN2TP53LMNAKMT2AMEN1

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 SMN1; SMN2 3383/4885TP53 4371/4885GAA 2207/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SMN1; SMN2 2449/4885TP53 4446/4885GAA 1930/4885

“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.