SCHEMBL4051680

SCHEMBL4051680

Cc1ccc(NC2=CC(=O)C(=O)N=C2Nc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP2 O95551 1/20 0.50
NSD2 O96028 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CDK4 P11802 6/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL4052609 0.83 IDO1 (0.48) BLMLMNAHPGDKDM4ETDP2
SCHEMBL4059168 0.83 MAPT (0.50) BLMLMNAHPGDKDM4ETDP2
SCHEMBL4052681 0.83 CDK4 (0.49) LMNAHPGDKDM4ENSD2ALDH1A1
SCHEMBL4382184 0.80 RAB9A (0.45) BLMLMNAKDM4ETDP2ALDH1A1
SCHEMBL4056980 0.77 NPC1 (0.47) LMNAHPGDKDM4EALDH1A1TP53
SCHEMBL4055068 0.73 PTPRB (0.46) BLMLMNAHPGDKDM4ENSD2
SCHEMBL4058567 0.72 KMT2A (0.41) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL4058438 0.71 STAT3 (0.42) BLMLMNAHPGDKDM4EALDH1A1
SCHEMBL4052749 0.71 MAPT (0.41) BLMLMNAKDM4ETDP2ALDH1A1
SCHEMBL4053105 0.71 ALDH1A1 (0.42) BLMLMNAKDM4ETDP2ALDH1A1

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 2 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 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

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 BLM 1895/4885LMNA 3323/4885HPGD 12/4885

“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.