SCHEMBL4252831

SCHEMBL4252831

COC(=O)c1cc(C)n2nc([N+](=O)[O-])cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CG P48736 1/20 0.38
HTT P42858 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 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
SCHEMBL4256917 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL8246398 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL20064736 0.79 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10PIK3CG
SCHEMBL8253049 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL4224849 0.77 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10PIK3CG
SCHEMBL8247369 0.77 PIK3CG (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL20064735 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL4263238 0.75 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10PIK3CG
SCHEMBL4252783 0.74 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10PIK3CG
SCHEMBL4260316 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102211-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-23 EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 ALDH1A1 2279/4885KDM4E 2588/4885HPGD 414/4885

“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.