SCHEMBL5433733

SCHEMBL5433733

NC(=O)c1ccccc1[CH]C(=O)N1CCC(n2ccccc2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
GAA P10253 1/20 0.38
PARP1 P09874 7/20 0.38
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53BP1 Q12888 1/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
PARP2 Q9UGN5 3/20 0.35
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL5433287 0.87 PARP1 (0.36) GAAPARP1L3MBTL3L3MBTL1TP53BP1
SCHEMBL14655997 0.77 POLB (0.40) L3MBTL1POLBALDH1A1
SCHEMBL5004375 0.74 KDM4E (0.49) GAAALDH1A1
SCHEMBL5429002 0.73 KDM5A (0.47) KDM5AGAAL3MBTL3L3MBTL1TP53BP1
SCHEMBL27426 0.69 KDM5A (0.40) KDM5AMEN1KMT2A
SCHEMBL28541089 0.68 KDM5A (0.54) KDM5AGAAL3MBTL3L3MBTL1TP53BP1
SCHEMBL30558157 0.66 KDM5A (0.39) KDM5AL3MBTL3L3MBTL1ALDH1A1OPRM1
SCHEMBL15797759 0.66 ALDH1A1 (0.40) KDM5AMEN1KMT2AALDH1A1
SCHEMBL22497977 0.66 TYK2 (0.45) PARP1MEN1KMT2APOLBPARP2
SCHEMBL1515606 0.66 ALDH1A1 (0.52) GAAPARP1L3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 KDM5A 3665/4885GAA 451/4885PARP1 1254/4885

“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.