SCHEMBL5428307

SCHEMBL5428307

CN(CCN1CCS(O)(O)CC1)CC(CC(=O)Nc1ccc(Cl)cc1)NC(=O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
F2 P00734 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.39
CYP1A2 P05177 2/20 0.39
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL5428310 0.94 F10 (0.44) F10F2MAPTALDH1A1RECQL
SCHEMBL5438600 0.94 F10 (0.46) F10F2MAPTALDH1A1RECQL
SCHEMBL5440261 0.91 F10 (0.44) F10F2MAPTALDH1A1RECQL
SCHEMBL5442070 0.90 F10 (0.49) F10MAPTALDH1A1RECQLCYP1A2
SCHEMBL5438150 0.85 F10 (0.45) F10F2MAPTALDH1A1RECQL
SCHEMBL5434163 0.85 MAPT (0.52) F10F2MAPTALDH1A1CYP1A2
SCHEMBL5433340 0.85 F10 (0.44) F10
SCHEMBL5442074 0.84 F10 (0.49) F10MAPTALDH1A1RECQLCYP1A2
SCHEMBL5448586 0.83 F10 (0.52) F10MAPTALDH1A1
SCHEMBL5438504 0.81 ALDH1A1 (0.49) F10F2MAPTALDH1A1RECQL

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 46/4885F2 6/4885MAPT 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.