SCHEMBL6294722

SCHEMBL6294722

CC(C)(C)OC(=O)c1ccccc1-c1cc([N+](=O)[O-])ccc1Oc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.42
BRD4 O60885 1/20 0.36
MERTK Q12866 1/20 0.35
EIF4A1 P60842 1/20 0.35
RAD51 Q06609 1/20 0.34
TBXA2R P21731 9/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PYGM P11217 1/20 0.34
SCN9A Q15858 2/20 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
SCHEMBL6295779 0.93 MERTK (0.42) PYGLBRD4MERTKEIF4A1TBXA2R
SCHEMBL6294975 0.92 PYGL (0.42) PYGLBRD4RAD51TBXA2RMEN1
SCHEMBL6294986 0.88 PYGL (0.44) PYGLMERTKRAD51TBXA2RMEN1
SCHEMBL6294719 0.88 PYGL (0.44) PYGLMERTKRAD51TBXA2RMEN1
SCHEMBL6294962 0.88 PYGL (0.40) PYGLRAD51TBXA2RMEN1KMT2A
SCHEMBL6300657 0.87 PYGL (0.52) PYGLBRD4MERTKEIF4A1SMN1; SMN2
SCHEMBL6295767 0.85 SCN9A (0.42) BRD4TBXA2RSCN9A
SCHEMBL6300609 0.85 PYGL (0.38) PYGLTBXA2RALDH1A1MAPTSCN9A
SCHEMBL6294699 0.85 PYGL (0.38) PYGLRAD51TBXA2RMEN1KMT2A
SCHEMBL6294677 0.84 PYGL (0.45) PYGLTBXA2RMEN1KMT2AALDH1A1

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 4 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
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 PYGL 1434/4885BRD4 799/4885MERTK 2466/4885

“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.