SCHEMBL7049302

SCHEMBL7049302

O=C(CCc1ccccc1)NCC(CCc1ccccc1O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
CES1 P23141 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XDH P47989 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL7045440 0.84 HPGD (0.41) ALDH1A1PRMT5WDR77NPC1NFKB1
SCHEMBL7044965 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL6465927 0.79 ALDH1A1 (0.36) ALDH1A1PTPN1
SCHEMBL7112289 0.77 HPGD (0.41) GAAALDH1A1PRMT5WDR77NPC1
SCHEMBL6462284 0.76 PTPN1 (0.39) FAAHCES1DAGLALMNAMAPT
SCHEMBL7045920 0.75 CTSL (0.40) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL6462287 0.74 FAAH (0.44) FAAHCES1DAGLAGAAXDH
Hydrochloric Acid SCHEMBL6462048 0.71 L3MBTL1 (0.33) ALDH1A1MAPT
SCHEMBL25881863 0.69 ALDH1A1 (0.70) GAAALDH1A1ERCC1ERCC4HPGD
SCHEMBL6466909 0.68 DAGLA (0.56) FAAHCES1DAGLAXDHNPC1

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 FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.