SCHEMBL5505353

SCHEMBL5505353

CCOC(=O)c1c(C)nc2ccccc2c1-c1ccccc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.97
LMNA P02545 2/20 0.97
MEN1 O00255 1/20 0.97
KMT2A Q03164 1/20 0.97
MAPT P10636 4/20 0.76
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 3/20 0.76
GAA P10253 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
RAB9A P51151 2/20 0.76
NPC1 O15118 1/20 0.76
HPGD P15428 1/20 0.76
ADORA3 P0DMS8 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NMT2 O60551 1/20 0.56

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
SCHEMBL31442528 1.00 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL31442451 0.91 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL31442597 0.91 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL3325758 0.88 SMN1; SMN2 (0.77) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL15976546 0.87 ALDH1A1 (1.00) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL14463535 0.86 SMN1; SMN2 (0.74) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL3322903 0.85 FABP4 (0.73) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL12498023 0.85 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL10256511 0.84 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL31442541 0.84 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2AMAPT

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-1753724-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
US-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases SIRCAR JAGADISH C 2006-01-12 US disclosed
WO-2005123686-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 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-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases LDLR, NPC1L1, CETP SMN1; SMN2 4780/4885LMNA 1144/4885MEN1 4136/4885

“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.