SCHEMBL6701130

SCHEMBL6701130

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CC(N)=O)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 5/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
KCNMA1 Q12791 1/20 0.41
PKM P14618 1/20 0.40
AURKA O14965 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1343075 0.92 TP53 (0.53) TP53GAAKMT2ANPC1RAB9A
SCHEMBL6697130 0.90 TP53 (0.51) TP53GAAKMT2ANPC1RAB9A
SCHEMBL1497603 0.89 GAA (0.48) TP53GAAKMT2ANPC1RAB9A
SCHEMBL2650328 0.88 GAA (0.46) TP53GAAKMT2ANPC1RAB9A
SCHEMBL1343039 0.88 TP53 (0.46) TP53GAAKMT2ANPC1RAB9A
SCHEMBL6696280 0.87 TP53 (0.49) TP53GAAKMT2ANPC1RAB9A
SCHEMBL6696150 0.87 TP53 (0.46) TP53GAAKMT2ANPC1RAB9A
SCHEMBL6701832 0.87 TP53 (0.48) TP53GAAKMT2ANPC1RAB9A
SCHEMBL1341790 0.86 TP53 (0.48) TP53GAAKMT2ANPC1RAB9A
SCHEMBL1342685 0.86 TP53 (0.48) TP53GAAKMT2ANPC1RAB9A

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 48/4885KMT2A 1526/4885

“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.