SCHEMBL6713331

SCHEMBL6713331

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)Cc4csc5ccccc45)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.38
MAPK8 P45983 3/20 0.33
MAPK9 P45984 3/20 0.33
TP53 P04637 2/20 0.33
JUN P05412 1/20 0.33
MAPT P10636 1/20 0.33
GCGR P47871 1/20 0.33
THRB P10828 1/20 0.33
MAPK10 P53779 2/20 0.32
DHPS P49366 1/20 0.32
CYP3A4 P08684 1/20 0.32
ROCK1 Q13464 1/20 0.32
PLA2G7 Q13093 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 1/20 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
SCHEMBL6708924 0.90 ALDH1A1 (0.41) PARP14MAPK8MAPK9MAPK10ALDH1A1
SCHEMBL6918828 0.89 MAPT (0.42) MAPK8MAPK9TP53JUNMAPT
SCHEMBL6713410 0.89 PKM (0.40) PARP14MAPK8MAPK9TP53JUN
SCHEMBL6707743 0.87 PARP14 (0.37) PARP14MAPK8MAPK9TP53JUN
SCHEMBL6708617 0.86 PARP14 (0.41) PARP14MAPK8MAPK9TP53MAPT
SCHEMBL6711981 0.86 ALDH1A1 (0.39) PARP14MAPK8MAPK9TP53MAPT
SCHEMBL6711927 0.86 PARP14 (0.44) PARP14TP53MAPT
SCHEMBL6710351 0.85 MAPT (0.38) PARP14MAPK8MAPK9TP53JUN
SCHEMBL6711390 0.85 TP53 (0.42) MAPK8MAPK9TP53MAPTMAPK10
SCHEMBL6710364 0.85 KDM4E (0.42) PARP14MAPTTHRBALDH1A1SMN1; SMN2

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 PARP14 2597/4885MAPK8 2531/4885MAPK9 3111/4885

“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.