SCHEMBL6295779

SCHEMBL6295779

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.42
PYGL P06737 1/20 0.41
BRD4 O60885 1/20 0.40
TBXA2R P21731 8/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
EIF4A1 P60842 1/20 0.37
CYP11B1 P15538 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSPB1 P04792 1/20 0.35
MAPT P10636 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
RECQL P46063 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
SCHEMBL6294722 0.93 PYGL (0.42) MERTKPYGLBRD4TBXA2RMEN1
SCHEMBL6294749 0.87 MERTK (0.45) MERTKPYGLTBXA2RMEN1KMT2A
SCHEMBL6294975 0.84 PYGL (0.42) PYGLBRD4TBXA2RMEN1KMT2A
SCHEMBL6296045 0.84 MERTK (0.42) MERTKPYGLTBXA2RMEN1KMT2A
SCHEMBL6294668 0.84 SCN9A (0.42) BRD4TBXA2RCYP11B1
SCHEMBL6295734 0.83 PYGL (0.43) MERTKPYGLBRD4TBXA2RMEN1
SCHEMBL6294962 0.80 PYGL (0.40) PYGLTBXA2RMEN1KMT2AALDH1A1
SCHEMBL6294986 0.79 PYGL (0.44) MERTKPYGLTBXA2RMEN1KMT2A
SCHEMBL6294719 0.79 PYGL (0.44) MERTKPYGLTBXA2RMEN1KMT2A
SCHEMBL6300657 0.78 PYGL (0.52) MERTKPYGLBRD4EIF4A1PTGDR2

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 MERTK 2466/4885PYGL 1434/4885BRD4 799/4885

“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.