SCHEMBL4059265

SCHEMBL4059265

COc1cc(OC)nc([NH])n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PDE2A O00408 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL9084531 0.78 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL14782540 0.77 LMNA (0.52) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL439716 0.74 LMNA (0.59) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL423183 0.74 PDE2A (0.61) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL578033 0.74 CYP1A2 (0.41) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL8656719 0.72 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL6386090 0.72 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL401292 0.72 LMNA (0.54) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL401293 0.72 CYP1A2 (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL8886934 0.72 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US disclosed
US-5723410-A PLANT GROWTH REGULATORS AND HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-03 US disclosed
EP-0511993-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-11 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES LMNA 3323/4885SMN1; SMN2 3704/4885L3MBTL1 4791/4885

“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.