SCHEMBL6694822

SCHEMBL6694822

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CSc2nnnn2CC(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
CMA1 P23946 1/20 0.45
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NTRK1 P04629 5/20 0.39
NTRK2 Q16620 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.37
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL6696350 0.90 LMNA (0.45) KMT2ATP53GAANTRK1NTRK2
SCHEMBL6692260 0.90 TP53 (0.38) KMT2ANPC1CMA1TP53GAA
SCHEMBL1343555 0.87 TP53 (0.43) KMT2ANPC1CMA1TP53GAA
SCHEMBL6695858 0.85 TP53 (0.41) KMT2ANPC1CMA1TP53GAA
SCHEMBL6696343 0.84 ALDH1A1 (0.44) NPC1TP53GAANTRK1NTRK2
SCHEMBL6697168 0.83 TP53 (0.42) KMT2ANPC1TP53GAANTRK1
SCHEMBL1341776 0.83 NPC1 (0.38) KMT2ANPC1CMA1TP53SMN1; SMN2
SCHEMBL1343018 0.82 KMT2A (0.37) KMT2ANPC1CMA1NTRK1NTRK2
SCHEMBL6697191 0.81 TP53 (0.44) KMT2ANPC1TP53GAANTRK1
SCHEMBL1343075 0.81 TP53 (0.53) KMT2ANPC1TP53GAASMN1; 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 KMT2A 1526/4885NPC1 2201/4885CMA1 1814/4885

“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.