SCHEMBL2016096

SCHEMBL2016096

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1nc(-c2ccccc2)ns1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 3/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ADORA3 P0DMS8 10/20 0.44
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2011927 0.75 ALDH1A1 (0.50) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL2013353 0.74 CACNA1G (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL2015126 0.73 MAPT (0.47) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL13369775 0.73 NPC1 (0.35) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9892914 0.72 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL2015307 0.69 MAPT (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL70743 0.68 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9852328 0.67 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL71744 0.66 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL16254958 0.65 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP claimed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP claimed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US claimed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 WO claimed
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP disclosed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 SMN1; SMN2 4701/4885NPC1 33/4885RAB9A 2827/4885

“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.