SCHEMBL5773299

SCHEMBL5773299

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 4/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
RGS12 O14924 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL5773983 0.87 GLA (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5770775 0.83 MAPT (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5777143 0.81 LTA4H (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5777386 0.80 LMNA (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5770221 0.80 ENPP2 (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5771116 0.80 MAPT (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5770770 0.79 MLYCD (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5771726 0.79 LTA4H (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5772612 0.79 LTA4H (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5773847 0.79 CCNC (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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 4701/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885MEN1 2072/4885KMT2A 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.