SCHEMBL2800382

SCHEMBL2800382

NC(=O)[C@@H]1CN(c2ccc(C3=NCCCN3)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.45
TOP2A P11388 4/20 0.44
TOP2B Q02880 4/20 0.44
NISCH Q9Y2I1 4/20 0.43
MAOA P21397 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
RUVBL1 Q9Y265 1/20 0.37

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
SCHEMBL2798082 0.93 F10 (0.43) F10TOP2ATOP2BNISCHMAOA
SCHEMBL2800383 0.82 F10 (0.52) F10TOP2ATOP2BNISCHGAA
SCHEMBL2800498 0.76 MAOA (0.41) F10MAOA
SCHEMBL2798085 0.74 F10 (0.54) F10TOP2ATOP2BNISCH
SCHEMBL2796421 0.74 MAOA (0.43) F10MAOA
SCHEMBL4753182 0.73 F10 (0.67) F10
SCHEMBL2800260 0.72 MAOA (0.41) F10MAOA
SCHEMBL5762328 0.72 GRM2 (0.53) F10MAOA
SCHEMBL13515441 0.71 MAOA (0.55) F10MAOAGAA
SCHEMBL2798690 0.71 GRM2 (0.52) MAOA

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-8288423-B2 FXa inhibitors with cyclic amidines as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-10-16 US disclosed
US-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-07-22 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-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, TFPI F10 4/4885TOP2A 3190/4885TOP2B 3655/4885

“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.