SCHEMBL6294986

SCHEMBL6294986

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.44
TBXA2R P21731 10/20 0.38
RAD51 Q06609 1/20 0.38
SCN9A Q15858 1/20 0.37
MERTK Q12866 1/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL6294719 0.92 PYGL (0.44) PYGLTBXA2RRAD51SCN9AMERTK
SCHEMBL6294749 0.92 MERTK (0.45) PYGLTBXA2RMERTKMEN1GAA
SCHEMBL6294689 0.89 PYGL (0.45) PYGLTBXA2RMEN1KMT2AKDM4E
SCHEMBL6296045 0.89 MERTK (0.42) PYGLTBXA2RMERTKMEN1GAA
SCHEMBL6294722 0.88 PYGL (0.42) PYGLTBXA2RRAD51SCN9AMERTK
SCHEMBL6294975 0.87 PYGL (0.42) PYGLTBXA2RRAD51MEN1KMT2A
SCHEMBL6294962 0.86 PYGL (0.40) PYGLTBXA2RRAD51SCN9AMEN1
SCHEMBL6294699 0.83 PYGL (0.38) PYGLTBXA2RRAD51SCN9AMEN1
SCHEMBL6296004 0.83 SCN9A (0.40) TBXA2RSCN9A
SCHEMBL6294677 0.82 PYGL (0.45) PYGLTBXA2RSCN9AMEN1KMT2A

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 10/4885RAD51 1031/4885

“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.