SCHEMBL8196129

SCHEMBL8196129

COC(=O)c1cc(C)n2ncc(C(C)=O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 10/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GBA1 P04062 2/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE2A O00408 1/20 0.42
PLEC Q15149 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A1 P04798 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8183946 0.88 KDM4E (0.49) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8256942 0.87 KDM4E (0.51) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL14124198 0.85 KDM4E (0.63) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8247700 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8185729 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8255619 0.81 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL4229924 0.81 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL21238857 0.80 KDM4E (0.79) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL22480174 0.78 KDM4E (0.56) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL4253830 0.77 KDM4E (0.67) KDM4EMAPTALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
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
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
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2007139860-A2 HETEROBICYLIC 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

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 KDM4E 418/4885MAPT 1366/4885ALDH1A1 3954/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 KDM4E 2588/4885MAPT 3514/4885ALDH1A1 2279/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885MAPT 3533/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KDM4E 2058/4885MAPT 3533/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885MAPT 3533/4885ALDH1A1 1806/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885MAPT 3533/4885ALDH1A1 1806/4885

“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.