SCHEMBL5436726

SCHEMBL5436726

O=C(CC(COCCN1CCS(O)(O)CC1)NC(=O)c1ccc(-n2ccccc2=O)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.45
CACNA1G O43497 2/20 0.37
KCNA5 P22460 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5436722 0.94 F10 (0.45) F10CACNA1GKCNA5
SCHEMBL5431486 0.92 F10 (0.46) F10CACNA1GKCNA5LMNAL3MBTL1
SCHEMBL5438997 0.90 F10 (0.45) F10
SCHEMBL5433378 0.89 F10 (0.48) F10
SCHEMBL5433340 0.85 F10 (0.44) F10
SCHEMBL5431410 0.85 F10 (0.51) F10
SCHEMBL5438150 0.84 F10 (0.45) F10
SCHEMBL5433374 0.83 F10 (0.48) F10
SCHEMBL5433785 0.83 F10 (0.54) F10
SCHEMBL5448226 0.83 F10 (0.49) F10

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
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 F10 46/4885CACNA1G 2676/4885KCNA5 2693/4885

“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.