SCHEMBL6710329

SCHEMBL6710329

CC(=O)OC(C(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAP3K5 Q99683 1/20 0.34
TP53 P04637 2/20 0.34
HDAC1 Q13547 1/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PLA2G7 Q13093 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6712529 0.89 CASP3 (0.39) CASP3CASP2CASP7CASP6CASP8
SCHEMBL6707893 0.88 HDAC1 (0.35) MAP3K5TP53HDAC1NSD2MAPT
SCHEMBL6708669 0.88 KCNQ2 (0.40) TP53HDAC1NSD2MAPTLMNA
SCHEMBL6710250 0.86 KMT2A (0.42) TP53HDAC1NSD2KMT2A
SCHEMBL6710380 0.86 MAP3K5 (0.43) MAP3K5TP53NSD2MAPTLMNA
SCHEMBL6708566 0.85 MAPT (0.38) MAP3K5TP53HDAC1NSD2MAPT
SCHEMBL6709837 0.84 MAPT (0.39) MAP3K5TP53HDAC1NSD2MAPT
SCHEMBL6833813 0.84 CASP3 (0.41) CASP3CASP2CASP7CASP6CASP8
SCHEMBL6707952 0.84 PRSS12 (0.39) HDAC1NSD2KMT2A
SCHEMBL6710254 0.84 NPC1 (0.40) LMNA

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 CASP3 250/4885CASP2 321/4885CASP7 175/4885

“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.