SCHEMBL5771116

SCHEMBL5771116

COC(=O)c1ccc(NC(=O)CCc2c(C)noc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.59
TP53 P04637 4/20 0.59
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPK1 P28482 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5774395 0.83 MAPT (0.43) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL5774392 0.81 TAS2R8 (0.43) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL5773299 0.80 MAPT (0.54) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL5776990 0.79 MAPT (0.46) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL5776995 0.79 MAPT (0.43) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL5773143 0.76 FFAR4 (0.51) MAPTMAPK1ALDH1A1LMNAKDM4E
SCHEMBL5970 0.76 LPAR1 (0.53) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL2839287 0.75 RAB9A (0.74) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5776962 0.75 NR4A2 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5773258 0.74 ALDH1A1 (0.49) MAPTMEN1KMT2AMAPK1ALDH1A1

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 4371/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885TP53 4446/4885MEN1 2072/4885

“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.