SCHEMBL6708749

SCHEMBL6708749

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(NC(=O)NCC(O)CO)c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
ROCK2 O75116 1/20 0.31
MAPT P10636 1/20 0.31
MAP2K1 Q02750 1/20 0.30
ALK Q9UM73 1/20 0.30
ABL1 P00519 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL6713471 0.89 RXFP1 (0.33) MAPTABL1
SCHEMBL6710097 0.89 HIF1A (0.34) MAPT
SCHEMBL6709838 0.87 KDM4E (0.38) ROCK2
SCHEMBL6707679 0.86 SCN9A (0.33) SCN9AMAPTMAP2K1ALKABL1
SCHEMBL6710200 0.85 ALK (0.38) ROCK2MAPTMAP2K1ALKTRPA1
SCHEMBL6710191 0.85 ALK (0.38) ROCK2MAPTMAP2K1ALKTRPA1
SCHEMBL6708677 0.84 PKM (0.34) ROCK2MAPTTRPA1
SCHEMBL6709087 0.84 TRPA1 (0.42) ROCK2MAPTTRPA1
SCHEMBL6833757 0.83 ALB (0.35) SCN9AMAPTMAP2K1TRPA1
SCHEMBL6710104 0.82 TRPA1 (0.33) ROCK2TRPA1

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 SCN9A 3481/4885ROCK2 4868/4885MAPT 4754/4885

“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.