SCHEMBL6696522

SCHEMBL6696522

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCSc2ncc[nH]2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
AURKA O14965 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
MAPK13 O15264 3/20 0.36
MAPK14 Q16539 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 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
SCHEMBL2656451 0.92 TP53 (0.43) TP53GAAAURKAMAPTKMT2A
SCHEMBL1342551 0.88 GAA (0.44) TP53GAAAURKAMAPTKMT2A
SCHEMBL1343486 0.85 TP53 (0.45) TP53GAAMAPTKMT2ALMNA
SCHEMBL2651209 0.84 TP53 (0.41) TP53GAAAURKAMAPTKMT2A
SCHEMBL2655811 0.84 TP53 (0.41) TP53GAAAURKAMAPTKMT2A
SCHEMBL1343614 0.83 TP53 (0.46) TP53GAAAURKAMAPTKMT2A
SCHEMBL1343023 0.83 TP53 (0.43) TP53GAAAURKAMAPTKMT2A
SCHEMBL1340800 0.82 TP53 (0.42) TP53GAAAURKAMAPTKMT2A
SCHEMBL6697170 0.82 TP53 (0.42) TP53GAAMAPTKMT2ALMNA
SCHEMBL1343692 0.82 TP53 (0.42) TP53GAAAURKAMAPTKMT2A

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 TP53 2961/4885GAA 48/4885AURKA 3432/4885

“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.