SCHEMBL4256917

SCHEMBL4256917

COC(=O)c1cc(C)n2nc(C(=O)OC)cc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.66
KDM4E B2RXH2 13/20 0.66
HPGD P15428 8/20 0.66
HSD17B10 Q99714 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
PIK3CG P48736 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
AHR P35869 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
SCHEMBL4252783 0.92 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8246398 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL20064736 0.87 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8253049 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4224849 0.86 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8247369 0.86 PIK3CG (0.57) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4263238 0.83 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL20064735 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4252831 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4214025 0.80 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
EP-2102211-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-23 EP disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 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
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
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (6 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 ALDH1A1 3954/4885KDM4E 418/4885HPGD 1910/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 ALDH1A1 2279/4885KDM4E 2588/4885HPGD 414/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HPGD 313/4885

“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.