SCHEMBL6294705

SCHEMBL6294705

CC(C)(C)OC(=O)c1cccc(-c2cc(N)ccc2Oc2ccc3cc(C#N)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.47
PLAU P00749 3/20 0.42
TBXA2R P21731 1/20 0.35
TDP2 O95551 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
CYP11B2 P19099 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL6294983 0.92 SCN9A (0.47) SCN9APLAUCYP11B2
SCHEMBL6294677 0.86 PYGL (0.45) SCN9APLAUTBXA2RPTGDR2
SCHEMBL6295767 0.83 SCN9A (0.42) SCN9ATBXA2R
SCHEMBL6294691 0.82 SCN9A (0.41) SCN9ATBXA2R
SCHEMBL6296004 0.81 SCN9A (0.40) SCN9ATBXA2R
SCHEMBL6294970 0.80 SCN9A (0.41) SCN9ATBXA2R
SCHEMBL6296053 0.80 AR (0.39) SCN9ATBXA2R
SCHEMBL6294985 0.79 SCN9A (0.39) SCN9ATBXA2R
SCHEMBL6295734 0.78 PYGL (0.43) SCN9ATBXA2RPTGDR2CYP11B2
SCHEMBL6295804 0.76 ALDH1A1 (0.40) SCN9ATBXA2R

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 1786/4885PLAU 151/4885TBXA2R 10/4885

“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.