SCHEMBL5438504

SCHEMBL5438504

O=C(CC(NC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)NCCN1CCS(O)(O)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.44
F10 P00742 7/20 0.43
F2 P00734 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 2/20 0.41
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.40
SLC2A1 P11166 1/20 0.39
NAMPT P43490 1/20 0.39
ATM Q13315 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
SCHEMBL5445591 0.92 ALDH1A1 (0.51) ALDH1A1MAPTRECQLF10F2
SCHEMBL5440482 0.90 EPHX2 (0.53) ALDH1A1MAPTRECQLF10F2
SCHEMBL5433922 0.89 F10 (0.51) ALDH1A1MAPTRECQLF10USP2
SCHEMBL5439338 0.86 MAPT (0.49) MAPTF10F2RAB9ANAMPT
SCHEMBL5440538 0.84 MAPT (0.49) ALDH1A1MAPTF10F2ATM
SCHEMBL5433458 0.84 F10 (0.45) ALDH1A1F10CNR1EPHX2
SCHEMBL5438150 0.83 F10 (0.45) ALDH1A1MAPTRECQLF10F2
SCHEMBL5433090 0.81 F10 (0.52) ALDH1A1MAPTRECQLF10USP2
SCHEMBL5428307 0.81 F10 (0.44) ALDH1A1MAPTRECQLF10F2
SCHEMBL5433247 0.81 MAPT (0.54) ALDH1A1MAPTF10F2NAMPT

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 ALDH1A1 1204/4885MAPT 4212/4885RECQL 2741/4885

“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.