SCHEMBL6835841

SCHEMBL6835841

CCC(C)Sc1cnc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F10 P00742 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
MAPK14 Q16539 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
STING1 Q86WV6 1/20 0.34
PDE10A Q9Y233 1/20 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
SCHEMBL6924747 0.86 ALB (0.62) ALBL3MBTL1NPSR1F10KMT2A
SCHEMBL6817525 0.86 NPSR1 (0.49) L3MBTL1NPSR1
SCHEMBL6835686 0.85 ALB (0.51) ALBL3MBTL1F10KMT2AMEN1
SCHEMBL6835830 0.85 AKR1C2 (0.46) L3MBTL1NPSR1KMT2AMEN1STING1
SCHEMBL6819130 0.84 ALB (0.54) ALBL3MBTL1F10KMT2AMEN1
SCHEMBL6834094 0.83 ALB (0.59) ALBL3MBTL1F10KMT2AMEN1
SCHEMBL6818796 0.82 ALB (0.59) ALBL3MBTL1F10KMT2AMEN1
SCHEMBL6822748 0.81 ALB (0.58) ALBF10
SCHEMBL6819812 0.81 ALB (0.58) ALBF10
SCHEMBL6833718 0.81 ALB (0.58) ALBF10

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885L3MBTL1 2096/4885NPSR1 2992/4885

“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.