SCHEMBL5437111

SCHEMBL5437111

O=C(CC(NC(=O)c1ccc(-n2ccccc2=O)cc1)C(=O)NCCN1CCOCC1)Nc1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.49
CD274 Q9NZQ7 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 1/20 0.44
EPHX2 P34913 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CCKBR P32239 1/20 0.42
HPGD P15428 1/20 0.41
ABCB1 P08183 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
SCHEMBL5440157 0.92 F10 (0.50) F10ALDH1A1KCNH2
SCHEMBL5428981 0.91 F10 (0.49) F10
SCHEMBL5442283 0.89 EPHX2 (0.54) F10CD274ALDH1A1HTR1AMAOA
SCHEMBL5436934 0.87 F10 (0.54) F10
SCHEMBL5433208 0.85 F10 (0.53) F10
SCHEMBL5429210 0.85 F10 (0.51) F10CD274ALDH1A1HTR1AMAOA
SCHEMBL5443196 0.84 F10 (0.53) F10
SCHEMBL5440446 0.83 F10 (0.49) F10TRPV4
SCHEMBL5445137 0.82 F10 (0.48) F10KCNH2EPHX2TRPV4
SCHEMBL5436965 0.81 F10 (0.56) 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 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 F10 46/4885CD274 2895/4885ALDH1A1 1204/4885

“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.