SCHEMBL6697734

SCHEMBL6697734

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCNC(=O)OCCN(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
AURKA O14965 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
AURKB Q96GD4 2/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
FLT3 P36888 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
MAPK13 O15264 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL1343253 0.92 TP53 (0.42) TP53GAAAURKASMN1; SMN2PKM
SCHEMBL6700223 0.91 TP53 (0.44) TP53GAAAURKASMN1; SMN2AURKB
SCHEMBL1342960 0.90 TP53 (0.47) TP53GAAAURKASMN1; SMN2AURKB
SCHEMBL6697382 0.87 TP53 (0.47) TP53GAAAURKASMN1; SMN2AURKB
SCHEMBL1343039 0.86 TP53 (0.46) TP53GAAAURKASMN1; SMN2AURKB
SCHEMBL1343104 0.85 TP53 (0.44) TP53GAAAURKASMN1; SMN2PKM
SCHEMBL1343466 0.84 TP53 (0.45) TP53GAAAURKASMN1; SMN2AURKB
SCHEMBL6696280 0.84 TP53 (0.49) TP53GAAAURKASMN1; SMN2PKM
SCHEMBL1343733 0.84 TP53 (0.46) TP53GAAAURKASMN1; SMN2AURKB
SCHEMBL4823039 0.83 AURKA (0.38) AURKASMN1; SMN2AURKBNTRK1CSF1R

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.