SCHEMBL6818221

SCHEMBL6818221

N#Cc1ccc(NC(=O)c2onc3ccccc23)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.44
PRSS12 P56730 1/20 0.44
CDK2 P24941 1/20 0.44
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
GRIK1 P39086 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ROCK1 Q13464 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
THRB P10828 1/20 0.38
F10 P00742 2/20 0.38
MAP2K1 Q02750 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PYGL P06737 1/20 0.38

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
SCHEMBL6819716 0.89 PRSS12 (0.47) ALBPRSS12CDK2HTTKMT2A
SCHEMBL6818795 0.86 CA12 (0.43) ALBPRSS12KMT2AMEN1MAPT
SCHEMBL7129786 0.86 ALB (0.42) ALBPRSS12CDK2HTTGFER
SCHEMBL6814346 0.86 ALB (0.42) ALBPRSS12KMT2AMEN1MAPT
SCHEMBL6818082 0.86 F2 (0.50) ALBHTTKMT2AMEN1MAPT
SCHEMBL6817661 0.84 PRSS12 (0.40) ALBPRSS12CDK2HTTTRPM4
SCHEMBL6818903 0.84 PRSS12 (0.40) ALBPRSS12CDK2HTTMAPT
SCHEMBL6813623 0.83 PRSS12 (0.39) ALBPRSS12CDK2HTTKMT2A
SCHEMBL6814368 0.83 GPR27 (0.46) ALBPRSS12KMT2AMEN1
SCHEMBL6818988 0.83 LMNA (0.49) HTTKMT2AMEN1PKM

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 disclosed
WO-2004018428-A1 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885PRSS12 4112/4885CDK2 4509/4885

“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.