SCHEMBL6294983

SCHEMBL6294983

CC(C)(C)OC(=O)c1cccc(-c2cc(N)ccc2Oc2ccc(C#N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.47
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PLAU P00749 1/20 0.37
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL6294705 0.92 SCN9A (0.47) SCN9ACYP11B2PLAU
SCHEMBL6295734 0.85 PYGL (0.43) SCN9ACYP11B2CYP11B1
SCHEMBL6294668 0.82 SCN9A (0.42) SCN9ACYP11B1PARP15PARP10PARP2
SCHEMBL6295761 0.80 PARP15 (0.42) SCN9APARP15PARP10PARP2
SCHEMBL6294692 0.79 SCN9A (0.42) SCN9APARP15PARP10PARP2
SCHEMBL6294677 0.78 PYGL (0.45) SCN9APLAU
SCHEMBL6295767 0.74 SCN9A (0.42) SCN9A
SCHEMBL6294691 0.74 SCN9A (0.41) SCN9A
SCHEMBL4460715 0.74 SLC7A5 (0.43) PARP15PARP10PARP2SLC7A5
SCHEMBL14966320 0.72 PARP15 (0.59) SCN9APARP15PARP10PARP2

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 SCN9A 1786/4885CYP11B2 491/4885CYP11B1 455/4885

“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.