SCHEMBL6697170

SCHEMBL6697170

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(C(C)Sc2ncc[nH]2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
LPAR1 Q92633 2/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.35
KCNMA1 Q12791 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6696356 0.87 TP53 (0.42) TP53GAALPAR1CCNE1CDK2
SCHEMBL2652283 0.87 ALDH1A1 (0.37) TP53GAANPC1RAB9ASMN1; SMN2
SCHEMBL1343486 0.86 TP53 (0.45) TP53GAALPAR1NPC1RAB9A
SCHEMBL1342128 0.85 TP53 (0.42) TP53GAALPAR1CCNE1CDK2
SCHEMBL2656450 0.84 TP53 (0.44) TP53GAALPAR1CCNE1CDK2
SCHEMBL2656451 0.84 TP53 (0.43) TP53GAANPC1RAB9ASMN1; SMN2
SCHEMBL6696522 0.82 TP53 (0.42) TP53GAANPC1RAB9ASMN1; SMN2
SCHEMBL1341066 0.82 CCNE1 (0.36) GAALPAR1CCNE1CDK2CDK5
SCHEMBL1343017 0.81 SMN1; SMN2 (0.34) GAACCNE1CDK2CDK5NPC1
SCHEMBL1343344 0.79 TP53 (0.45) TP53GAALPAR1NPC1RAB9A

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 48/4885LPAR1 4314/4885

“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.