SCHEMBL6300738

SCHEMBL6300738

COC(=O)c1cc(C(=O)NCC(C)C)ccc1-c1ccc(C)cc1Oc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F3 P13726 10/20 0.41
F7 P08709 9/20 0.41
F2 P00734 8/20 0.41
F10 P00742 7/20 0.41
PLG P00747 3/20 0.41
SCN9A Q15858 2/20 0.41
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 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
SCHEMBL6295760 0.93 F3 (0.43) F3F7F2F10PLG
SCHEMBL6300656 0.87 F3 (0.42) F3F7F2F10PLG
SCHEMBL6294688 0.84 PYGL (0.43) F3F7F2F10PLG
SCHEMBL8498736 0.79 F3 (0.59) F3F7F2F10PLG
SCHEMBL6300732 0.77 F3 (0.46) F3F7F2F10PLG
Trifluoroacetic Acid SCHEMBL6300715 0.76 F3 (0.55) F3F7F2F10PLG
SCHEMBL7663258 0.75 F3 (0.45) F3F7F2F10PLG
SCHEMBL8506173 0.75 F7 (0.65) F3F7F2F10PLG
SCHEMBL6300730 0.69 SCN9A (0.40) F3F7F2F10PLG
SCHEMBL7663122 0.69 F3 (0.50) F3F7F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP 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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 F3 56/4885F7 22/4885F2 1/4885

“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.