SCHEMBL5433322

SCHEMBL5433322

O=C(CC(NC(=O)c1ccc(-n2ccccc2=O)cc1)C(=O)N1CCOCC1)Nc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5443119 0.92 F10 (0.54) F10ALDH1A1
SCHEMBL5438489 0.91 F10 (0.53) F10ALDH1A1
SCHEMBL5437081 0.90 F10 (0.51) F10
SCHEMBL5437798 0.89 F10 (0.50) F10
SCHEMBL5437801 0.89 F10 (0.50) F10
SCHEMBL5436934 0.88 F10 (0.54) F10HTT
SCHEMBL5442283 0.86 EPHX2 (0.54) F10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5439391 0.85 F10 (0.50) F10ALDH1A1MAPTNPC1RAB9A
SCHEMBL5442176 0.82 F10 (0.54) F10MEN1KMT2A
SCHEMBL5448264 0.82 MAPT (0.50) F10ALDH1A1MAPTNPC1RAB9A

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 46/4885ALDH1A1 1204/4885MAPT 4212/4885

“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.