SCHEMBL5773983

SCHEMBL5773983

NC(=O)c1ccc(NC(=O)CCc2cnoc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
MAPT P10636 7/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PARP1 P09874 1/20 0.44
HTT P42858 2/20 0.43
NPY5R Q15761 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 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
SCHEMBL5773299 0.87 MAPT (0.54) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5777386 0.81 LMNA (0.47) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5770221 0.81 ENPP2 (0.46) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5774790 0.80 MAPT (0.64) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5770770 0.79 MLYCD (0.41) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5773818 0.79 PORCN (0.57) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5770831 0.79 NR4A2 (0.52) KMT2ASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL5773606 0.79 MAPT (0.48) GLAMAPTKMT2AMEN1POLB
SCHEMBL5771183 0.78 ROCK2 (0.45) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5770775 0.78 MAPT (0.41) MAPTKMT2AMEN1POLBALDH1A1

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 GLA 1850/4885MAPT 4701/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GLA 1025/4885MAPT 4763/4885KMT2A 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.