SCHEMBL6709031

SCHEMBL6709031

CCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.37
PARP14 Q460N5 2/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NSD2 O96028 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6711656 0.95 GSK3B (0.42) PLA2G7PARP14GSK3BMAPTPOLB
SCHEMBL6710292 0.95 GSK3B (0.40) PLA2G7GSK3BALDH1A1MAPTPOLB
SCHEMBL6713665 0.95 HDAC3 (0.41) PLA2G7GSK3BALDH1A1MAPTPOLB
SCHEMBL6713357 0.95 HDAC3 (0.41) PLA2G7GSK3BALDH1A1MAPTPOLB
SCHEMBL6709008 0.94 MAPT (0.36) PLA2G7PARP14ALDH1A1MAPTPOLB
SCHEMBL6710395 0.90 PKM (0.35) PLA2G7PARP14MAPTPOLBLMNA
SCHEMBL6713217 0.90 HDAC3 (0.38) PLA2G7GSK3BMAPTPOLBLMNA
SCHEMBL6710445 0.90 POLB (0.39) PLA2G7ALDH1A1MAPTPOLBLMNA
SCHEMBL6711734 0.90 PARP14 (0.37) PARP14ALDH1A1POLBHDAC3HDAC1
SCHEMBL6709019 0.90 GAA (0.37) PLA2G7PARP14MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PLA2G7 3314/4885PARP14 2597/4885GSK3B 4467/4885

“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.