SCHEMBL860335

SCHEMBL860335

C[C@H](NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(OCc2ccncc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 16/20 0.54
F2 P00734 9/20 0.54
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 2/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
F3 P13726 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL861159 1.00 F7 (0.54) F7F2KDM4EMAPTHTT
SCHEMBL861192 0.90 F7 (0.53) F7F2F10PRSS1PRSS2
SCHEMBL842286 0.87 F7 (0.52) F7F2F10PRSS1PRSS2
SCHEMBL841234 0.87 F7 (0.52) F7F2F10PRSS1PRSS2
SCHEMBL860981 0.86 F7 (0.51) F7F2F10
SCHEMBL861200 0.84 F7 (0.50) F7F2F10
SCHEMBL860984 0.83 F7 (0.49) F7F2F10
SCHEMBL860383 0.83 F7 (0.49) F7F2F10
SCHEMBL8108603 0.83 F7 (0.49) F7F2F10
SCHEMBL860516 0.82 F7 (0.48) F7F2F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI F7 1/4885F2 23/4885KDM4E 260/4885

“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.