SCHEMBL3881328

SCHEMBL3881328

Cn1cnc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
HTT P42858 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.44
IP6K1 Q92551 1/20 0.44
BRAF P15056 2/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
DRD2 P14416 1/20 0.43
HSPB1 P04792 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL19185810 0.85 L3MBTL1 (1.00) L3MBTL1HTTMAPTPOLBMAPK1
SCHEMBL3880219 0.82 L3MBTL1 (0.50) L3MBTL1MAPTKDM4EIP6K1BRAF
SCHEMBL27174580 0.81 L3MBTL1 (0.54) L3MBTL1HTTMAPTKDM4EIP6K1
SCHEMBL29539639 0.81 L3MBTL1 (0.54) L3MBTL1HTTMAPTKDM4EIP6K1
SCHEMBL24569513 0.81 L3MBTL1 (0.49) L3MBTL1HTTMAPTKDM4ELMNA
SCHEMBL9922441 0.77 KDM4E (0.58) L3MBTL1MAPK1KDM4EIP6K1BRAF
SCHEMBL30648059 0.77 KDM4E (0.58) L3MBTL1MAPK1KDM4EIP6K1BRAF
SCHEMBL4266168 0.76 MAPT (0.48) L3MBTL1HTTMAPTPOLBMAPK1
SCHEMBL9800651 0.75 HTT (0.49) L3MBTL1HTTMAPTMAPK1KDM4E
SCHEMBL4042675 0.75 L3MBTL1 (0.43) L3MBTL1HTTMAPTPOLBMAPK1

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-20090149484-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-2010504-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007119055-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-10-25 WO 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-20090149484-A1 QUINAZOLIN-4-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BRAF, RAF1, NRAS L3MBTL1 4021/4885HTT 4309/4885MAPT 3817/4885

“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.