SCHEMBL6713770

SCHEMBL6713770

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2cccc(NC(=O)NCc3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN1 Q9GZT9 4/20 0.34
ROCK2 O75116 5/20 0.34

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
SCHEMBL6708728 0.89 GRIK1 (0.40) GSK3BKDM4ETRPV1MEN1KMT2A
SCHEMBL6711748 0.89 GRIK1 (0.41) GSK3BKDM4ETRPV1MEN1KMT2A
SCHEMBL6707719 0.87 ROCK1 (0.41) MEN1KMT2ALMNARAB9A
SCHEMBL6707679 0.87 SCN9A (0.33)
SCHEMBL6713413 0.86 PKM (0.33) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL6709838 0.85 KDM4E (0.38) GSK3BKDM4ETRPV1MEN1KMT2A
SCHEMBL6710197 0.85 GSK3A (0.37) GSK3BALDH1A1
SCHEMBL6711914 0.85 HPGD (0.42) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL6710086 0.85 MET (0.38) LMNAEGLN1
SCHEMBL6711649 0.84 GRIK1 (0.33) GSK3BLMNA

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GSK3B 4467/4885KDM4E 1582/4885TRPV1 1338/4885

“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.