SCHEMBL2656451

SCHEMBL2656451

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CSc2ncc[nH]2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
NTRK1 P04629 3/20 0.39
NTRK2 Q16620 3/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNMA1 Q12791 1/20 0.38
PKM P14618 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
AURKA O14965 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 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
SCHEMBL6696522 0.92 TP53 (0.42) TP53GAANTRK1NTRK2MAPT
SCHEMBL2650922 0.89 TP53 (0.43) TP53GAANTRK1NTRK2MAPT
SCHEMBL6695518 0.88 TP53 (0.45) TP53GAANTRK1NTRK2MAPT
SCHEMBL1343486 0.86 TP53 (0.45) TP53GAAMAPTLMNAKMT2A
SCHEMBL1341725 0.86 GAA (0.45) TP53GAAMAPTLMNAKMT2A
SCHEMBL1343021 0.85 TP53 (0.44) TP53GAANTRK1NTRK2MAPT
SCHEMBL6697170 0.84 TP53 (0.42) TP53GAAMAPTLMNAKMT2A
SCHEMBL1340800 0.84 TP53 (0.42) TP53GAAMAPTLMNAKMT2A
SCHEMBL6697168 0.84 TP53 (0.42) TP53GAANTRK1NTRK2MAPT
SCHEMBL2652283 0.84 ALDH1A1 (0.37) TP53GAANTRK1NTRK2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 TP53 2961/4885GAA 48/4885NTRK1 2877/4885

“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.