SCHEMBL7045443

SCHEMBL7045443

O=C(CCC1CCCC1)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 3/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ENPP2 Q13822 1/20 0.41
EPHX2 P34913 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7045923 0.89 KMT2A (0.46) MEN1KMT2ARAB9AHPGDLMNA
SCHEMBL7049306 0.88 DAGLA (0.44) MEN1KMT2ARAB9AHPGDLMNA
SCHEMBL7186569 0.88 MEN1 (0.40) MEN1KMT2ARAB9AHPGDENPP2
SCHEMBL7042908 0.86 DAGLA (0.47) MEN1KMT2ARAB9AHPGDMAPT
SCHEMBL6464160 0.84 LMNA (0.39) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7047935 0.82 LMNA (0.37) MEN1KMT2ARAB9AHPGDLMNA
SCHEMBL7044868 0.81 LMNA (0.37) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7047959 0.80 MEN1 (0.44) MEN1KMT2ARAB9AHPGDLMNA
SCHEMBL6466282 0.80 LMNA (0.39) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL7112293 0.79 HPGD (0.44) MEN1KMT2ARAB9AHPGDLMNA

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 MEN1 4023/4885KMT2A 3705/4885RAB9A 1895/4885

“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.