SCHEMBL6691983

SCHEMBL6691983

Cc1ccc(NC(=O)Nc2ncc(CCc3nnnn3CC(=O)O)s2)c(N2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 8/20 0.37
MAPK13 O15264 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 2/20 0.35

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
SCHEMBL1341271 0.90 POLB (0.43) POLBTP53MAPTMAPK14MAPK13
SCHEMBL1343792 0.86 POLB (0.39) POLBTP53MAPTSMN1; SMN2
SCHEMBL6702264 0.86 POLB (0.40) POLBTP53MAPTMAPK14MAPK13
SCHEMBL1343160 0.85 POLB (0.39) POLBTP53MAPTMAPK13SMN1; SMN2
SCHEMBL6694773 0.83 MAPK14 (0.39) MAPTMAPK14MAPK13
SCHEMBL1340384 0.83 POLB (0.43) POLBTP53MAPTMAPK14MAPK13
SCHEMBL4471012 0.82 POLB (0.42) POLBTP53MAPTMAPK14MAPK13
SCHEMBL1343304 0.82 POLB (0.46) POLBTP53MAPTMAPK13SMN1; SMN2
SCHEMBL6695968 0.81 MAPK14 (0.37) MAPK14MAPK13
SCHEMBL1343227 0.81 SMN1; SMN2 (0.48) POLBSMN1; SMN2

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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 POLB 3676/4885TP53 2961/4885MAPT 2678/4885

“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.