SCHEMBL7399539

SCHEMBL7399539

O=C(O)C1CCCCN1c1ccc(-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.49
GHSR Q92847 1/20 0.49
PIM1 P11309 1/20 0.47
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
DAGLB Q8NCG7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AVPR2 P30518 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
BRS3 P32247 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CHRNA7 P36544 1/20 0.42

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
SCHEMBL15665299 0.81 SMN1; SMN2 (0.52) PORCNPIM1SMN1; SMN2
SCHEMBL29507440 0.81 SMN1; SMN2 (0.52) PORCNPIM1SMN1; SMN2
SCHEMBL15665079 0.81 SMN1; SMN2 (0.52) PORCNPIM1SMN1; SMN2
SCHEMBL6173007 0.80 SMN1; SMN2 (0.46) PORCNSMN1; SMN2BRS3
SCHEMBL13603832 0.78 SMN1; SMN2 (0.46) SMN1; SMN2BRS3
SCHEMBL8104378 0.78 SMN1; SMN2 (0.46) SMN1; SMN2BRS3
SCHEMBL7439477 0.76 SMN1; SMN2 (0.41) PIM1SMN1; SMN2BRS3
SCHEMBL6703929 0.75 SMN1; SMN2 (0.50) PORCNSMN1; SMN2BRS3CHRNA7
SCHEMBL7918841 0.75 SMN1; SMN2 (0.50) PORCNSMN1; SMN2BRS3CHRNA7
SCHEMBL3711892 0.74 CNR2 (0.51) SMN1; SMN2BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002080920-A1 ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-10-17 WO claimed
US-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
WO-2002080920-A1 ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-10-17 WO 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-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors SERPINB1, SPINT2, PRSS1 PORCN 1213/4885GHSR 4405/4885PIM1 586/4885

“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.