SCHEMBL2012824

SCHEMBL2012824

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccn(C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 11/20 0.43
POLB P06746 1/20 0.42
PIK3R1 P27986 2/20 0.40
MTOR P42345 2/20 0.40
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
THRB P10828 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL2014987 0.81 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KDM4EHTTMAPT
SCHEMBL2015517 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTPOLBMTOR
SCHEMBL2015057 0.80 MAPT (0.43) SMN1; SMN2ALDH1A1LMNAMAPTPOLB
SCHEMBL2016657 0.80 MAPT (0.53) SMN1; SMN2ALDH1A1LMNAMAPTPOLB
SCHEMBL2015126 0.76 MAPT (0.47) SMN1; SMN2ALDH1A1LMNAMAPTPOLB
SCHEMBL2013308 0.76 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTPOLBHSP90AA1
SCHEMBL2011806 0.76 MAPT (0.53) SMN1; SMN2ALDH1A1LMNAMAPTPOLB
SCHEMBL2015307 0.75 MAPT (0.47) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL2014050 0.74 MAPT (0.40) ALDH1A1MAPTPOLBHSP90AA1KMT2A
SCHEMBL2013918 0.74 MAPT (0.40) SMN1; SMN2ALDH1A1LMNAMAPTPOLB

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 9 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
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 4701/4885ALDH1A1 2899/4885KDM4E 3907/4885

“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.