SCHEMBL6300657

SCHEMBL6300657

N#Cc1ccc2cc(Oc3ccc([N+](=O)[O-])cc3-c3ccccc3C(=O)O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 7/20 0.52
EIF4A1 P60842 1/20 0.44
PYGM P11217 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EIF4E P06730 2/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
HPSE Q9Y251 1/20 0.39
BRD4 O60885 1/20 0.39
MERTK Q12866 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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 0.87 PYGL (0.42) PYGLEIF4A1PYGMSMN1; SMN2BRD4
SCHEMBL8486260 0.85 BRD4 (0.43) PYGLSMN1; SMN2KDM4EBRD4MERTK
SCHEMBL6296041 0.83 ALDH1A1 (0.43) PYGLEIF4A1KDM4EBRD4MERTK
SCHEMBL6294975 0.81 PYGL (0.42) PYGLPYGMSMN1; SMN2BRD4
SCHEMBL6300791 0.80 MAPT (0.40) PYGLSMN1; SMN2KDM4EBRD4MERTK
SCHEMBL6295779 0.78 MERTK (0.42) PYGLEIF4A1BRD4MERTKPTGDR2
SCHEMBL6294962 0.76 PYGL (0.40) PYGLSMN1; SMN2
SCHEMBL6300744 0.76 EPAS1 (0.44) PYGLKDM4EMERTK
SCHEMBL6294697 0.75 LMNA (0.52) PYGLSMN1; SMN2KDM4EMERTKPTGDR2
SCHEMBL6300671 0.75 PYGL (0.38) PYGLSMN1; SMN2KDM4EBRD4MERTK

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 1434/4885EIF4A1 1052/4885PYGM 4136/4885

“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.