SCHEMBL5773840

SCHEMBL5773840

CC(C)(c1ccc(NC(=O)CCCc2cnoc2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HDAC3 O15379 8/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC2 Q92769 7/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MCL1 Q07820 1/20 0.40
HDAC4 P56524 6/20 0.40
HDAC10 Q969S8 6/20 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
SCHEMBL5770770 0.94 MLYCD (0.41) MAPTTP53SMN1; SMN2LMNAHDAC3
SCHEMBL5775542 0.88 NPC1 (0.39) MAPTTP53SMN1; SMN2LMNAHDAC3
SCHEMBL5775516 0.85 MAPT (0.41) MAPTTP53SMN1; SMN2LMNAHDAC3
SCHEMBL5770233 0.85 SMN1; SMN2 (0.40) MAPTTP53SMN1; SMN2LMNANPC1
SCHEMBL5773534 0.85 MAPT (0.42) MAPTTP53SMN1; SMN2LMNAHDAC1
SCHEMBL5772904 0.85 TP53 (0.48) MAPTTP53SMN1; SMN2LMNANPC1
SCHEMBL5773273 0.83 MAPT (0.51) MAPTTP53SMN1; SMN2HDAC3HDAC1
SCHEMBL5771724 0.83 MAPT (0.41) MAPTTP53SMN1; SMN2LMNAHDAC3
SCHEMBL5775978 0.82 MAPT (0.41) MAPTTP53SMN1; SMN2LMNATRPV1
SCHEMBL5774258 0.81 MAPT (0.41) MAPTTP53SMN1; SMN2LMNANPC1

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 MAPT 4701/4885TP53 4371/4885SMN1; SMN2 3383/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885TP53 4446/4885SMN1; SMN2 2449/4885

“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.