SCHEMBL6300671

SCHEMBL6300671

N#Cc1ccc2cc(Oc3ccc([N+](=O)[O-])cc3-c3ccsc3C=O)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RAD51 Q06609 1/20 0.37
MERTK Q12866 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
LRRK2 Q5S007 1/20 0.35
HSPB1 P04792 2/20 0.34
THRB P10828 1/20 0.34
PDE7A Q13946 1/20 0.33
TTR P02766 1/20 0.33
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL6296041 0.82 ALDH1A1 (0.43) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6300791 0.81 MAPT (0.40) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6294699 0.80 PYGL (0.38) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6300666 0.80 ALDH1A1 (0.43) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6294697 0.78 LMNA (0.52) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL8486260 0.78 BRD4 (0.43) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6300708 0.75 MAPT (0.36) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6300744 0.75 EPAS1 (0.44) PYGLALDH1A1MAPTLMNAMEN1
SCHEMBL6300657 0.75 PYGL (0.52) PYGLMERTKKDM4EBRD4SMN1; SMN2
SCHEMBL6294722 0.73 PYGL (0.42) PYGLALDH1A1MAPTLMNAMEN1

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 1434/4885ALDH1A1 1785/4885MAPT 4849/4885

“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.