SCHEMBL6294699

SCHEMBL6294699

CC(C)(C)OC(=O)c1sccc1-c1cc([N+](=O)[O-])ccc1Oc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.38
TBXA2R P21731 10/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD51 Q06609 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 2/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6294970 0.85 SCN9A (0.41) TBXA2RSCN9A
SCHEMBL6294722 0.85 PYGL (0.42) PYGLTBXA2RALDH1A1MAPTMEN1
SCHEMBL6294975 0.84 PYGL (0.42) PYGLTBXA2RALDH1A1MAPTMEN1
SCHEMBL6294962 0.83 PYGL (0.40) PYGLTBXA2RALDH1A1MAPTMEN1
SCHEMBL6294986 0.83 PYGL (0.44) PYGLTBXA2RALDH1A1MAPTMEN1
SCHEMBL6294677 0.82 PYGL (0.45) PYGLTBXA2RALDH1A1MAPTMEN1
SCHEMBL6294719 0.81 PYGL (0.44) PYGLTBXA2RALDH1A1MAPTMEN1
SCHEMBL6300671 0.80 PYGL (0.38) PYGLALDH1A1MAPTMEN1KMT2A
SCHEMBL6300609 0.80 PYGL (0.38) PYGLTBXA2RALDH1A1MAPTSCN9A
SCHEMBL6295779 0.77 MERTK (0.42) PYGLTBXA2RALDH1A1MAPTMEN1

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 PYGL 1434/4885TBXA2R 10/4885ALDH1A1 1785/4885

“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.