SCHEMBL2016657

SCHEMBL2016657

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.37
BCHE P06276 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
SCHEMBL2015126 0.87 MAPT (0.47) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2011806 0.85 MAPT (0.53) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2013166 0.82 MAPT (0.55) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2013627 0.78 MAPT (0.46) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2015307 0.78 MAPT (0.47) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2013171 0.77 MAPT (0.47) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2013918 0.76 MAPT (0.40) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL16168628 0.75 MAPT (0.36) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2017246 0.75 MAPT (0.43) MAPTPOLBKMT2ASMN1; SMN2THRB
SCHEMBL2013591 0.74 ALDH1A1 (0.45) MAPTPOLBALDH1A1KMT2ASMN1; 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 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 MAPT 809/4885POLB 3581/4885ALDH1A1 2899/4885

“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.