SCHEMBL6833170

SCHEMBL6833170

N#Cc1ccc(NC(=O)c2cnc(/C=C/c3ccccc3)cn2)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
ALB P02768 2/20 0.41
PRSS12 P56730 1/20 0.39
F10 P00742 3/20 0.39
HTT P42858 1/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
TRPM4 Q8TD43 1/20 0.38
GRM4 Q14833 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
CDK2 P24941 1/20 0.37
KMT2A Q03164 2/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
MAOB P27338 1/20 0.36
STING1 Q86WV6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6833173 1.00 PYGL (0.43) PYGLPYGMALBPRSS12F10
SCHEMBL6834161 0.81 PPARG (0.44) PYGLPYGMALBPRSS12F10
SCHEMBL6833934 0.80 KMT2A (0.47) PYGLPYGMALBPRSS12F10
SCHEMBL6835589 0.78 PYGL (0.50) PYGLPYGMALBF10HTT
SCHEMBL6833859 0.78 GRM4 (0.61) PYGLPYGMHTTGRM4KMT2A
SCHEMBL6818218 0.78 ALB (0.45) PYGLPYGMALBF10TRPM4
SCHEMBL6822721 0.77 GSK3A (0.45) PYGLPYGMALBF10HTT
SCHEMBL6818622 0.77 DHODH (0.46) PYGLPYGMALBGSK3AGSK3B
SCHEMBL6818963 0.77 ALB (0.49) PYGLPYGMALBF10KMT2A
SCHEMBL6818018 0.76 ALB (0.49) PYGLPYGMALBF10TRPM4

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-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 PYGL 3759/4885PYGM 4260/4885ALB 1417/4885

“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.