SCHEMBL7049306

SCHEMBL7049306

O=C(CCc1ccccc1)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.44
FAAH O00519 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.42
XDH P47989 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 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
SCHEMBL7045443 0.88 MEN1 (0.45) DAGLAFAAHCES1ALDH1A1RAB9A
SCHEMBL7044969 0.84 HPGD (0.43) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6467037 0.83 FAAH (0.36) DAGLAFAAHCES1XDHALDH1A1
SCHEMBL6466202 0.82 LMNA (0.36) DAGLAFAAHCES1KDM4EXDH
Hydrochloric Acid SCHEMBL6465937 0.82 FAAH (0.35) DAGLAFAAHCES1KDM4EXDH
SCHEMBL6464160 0.81 LMNA (0.39) DAGLAFAAHCES1HTTRAB9A
SCHEMBL7112293 0.80 HPGD (0.44) DAGLAFAAHCES1GAAALDH1A1
SCHEMBL7047935 0.80 LMNA (0.37) DAGLAFAAHCES1KDM4EALDH1A1
SCHEMBL6462741 0.79 FAAH (0.36) DAGLAFAAHCES1XDHALDH1A1
SCHEMBL6063233 0.78 FAAH (0.37) DAGLAFAAHCES1XDHALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US 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 (1 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DAGLA 2304/4885FAAH 479/4885CES1 272/4885

“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.