SCHEMBL6834161

SCHEMBL6834161

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44
ALB P02768 2/20 0.43
SERPINE1 P05121 2/20 0.43
ATR Q13535 2/20 0.42
PRKDC P78527 1/20 0.42
PRSS12 P56730 1/20 0.42
MAPT P10636 1/20 0.41
CYP3A4 P08684 2/20 0.41
F10 P00742 1/20 0.41
HTT P42858 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM4 Q8TD43 1/20 0.41

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
SCHEMBL6818821 0.87 ALB (0.46) PPARGGSK3AGSK3BALBATR
SCHEMBL6818622 0.86 DHODH (0.46) GSK3AGSK3BPYGLPYGMALB
SCHEMBL6822721 0.86 GSK3A (0.45) GSK3AGSK3BPYGLPYGMALB
SCHEMBL6833849 0.85 OXTR (0.47) PPARGPYGLPYGMALBF10
SCHEMBL6819024 0.84 KMO (0.43) GSK3AGSK3BPYGLPYGMALB
SCHEMBL6833934 0.84 KMT2A (0.47) PPARGGSK3AGSK3BPYGLPYGM
SCHEMBL6835589 0.82 PYGL (0.50) GSK3AGSK3BPYGLPYGMALB
SCHEMBL6833859 0.81 GRM4 (0.61) PYGLPYGMMAPTHTTKMT2A
SCHEMBL6818218 0.81 ALB (0.45) PYGLPYGMALBF10TRPM4
SCHEMBL6833173 0.81 PYGL (0.43) GSK3AGSK3BPYGLPYGMALB

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 PPARG 285/4885GSK3A 3920/4885GSK3B 4268/4885

“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.