SCHEMBL6294668

SCHEMBL6294668

CC(C)(C)OC(=O)c1ccccc1-c1cc(N)ccc1Oc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
BRD4 O60885 3/20 0.41
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
TBXA2R P21731 5/20 0.36
CYP11B1 P15538 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
SLC6A4 P31645 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6295767 0.92 SCN9A (0.42) SCN9ABRD4TBXA2R
SCHEMBL6295761 0.86 PARP15 (0.42) SCN9APARP15PARP10PARP2TBXA2R
SCHEMBL6295779 0.84 MERTK (0.42) BRD4TBXA2RCYP11B1
SCHEMBL6294691 0.83 SCN9A (0.41) SCN9ABRD4TBXA2R
SCHEMBL6294692 0.83 SCN9A (0.42) SCN9APARP15PARP10PARP2TBXA2R
SCHEMBL6294983 0.82 SCN9A (0.47) SCN9APARP15PARP10PARP2CYP11B1
SCHEMBL6296053 0.79 AR (0.39) SCN9ATBXA2R
SCHEMBL6296004 0.78 SCN9A (0.40) SCN9ATBXA2RGPR119
SCHEMBL6294985 0.78 SCN9A (0.39) SCN9ATBXA2RGPR119
SCHEMBL6294722 0.77 PYGL (0.42) SCN9ABRD4TBXA2R

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 1786/4885BRD4 799/4885PARP15 2077/4885

“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.