SCHEMBL5773691

SCHEMBL5773691

COc1ccc(CCNC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5770996 0.82 CDK8 (0.53) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL5773900 0.82 CYP1A2 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5775822 0.82 HPGD (0.49) LMNANPSR1KMT2AMEN1ALDH1A1
SCHEMBL4023394 0.81 KMT2A (0.79) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4025101 0.80 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5773408 0.79 LMNA (0.48) LMNAHTTSMN1; SMN2
SCHEMBL4022887 0.77 KMT2A (0.87) LMNAKMT2AMEN1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5773568 0.76 EPHX2 (0.52) KMT2AMEN1GAA
SCHEMBL5776674 0.76 SMN1; SMN2 (0.46) LMNAKMT2AMEN1HTTMAPT
SCHEMBL5773717 0.76 L3MBTL1 (0.52) LMNAKMT2AMEN1ALDH1A1MAPT

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 LMNA 2770/4885NPSR1 2939/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885NPSR1 3283/4885KMT2A 2906/4885

“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.