SCHEMBL8219979

SCHEMBL8219979

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cnccn4)n4nccc4n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
GLS O94925 1/20 0.38
HPGD P15428 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
SPR P35270 1/20 0.37
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 1/20 0.36
NAMPT P43490 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8225381 0.89 HPGD (0.49) PIK3CASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL8228682 0.89 MMP13 (0.47) PIK3CASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL8219951 0.89 PIK3CA (0.42) PIK3CASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL8225360 0.89 LMNA (0.41) PIK3CASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL8225294 0.89 ADAMTS4 (0.38) PIK3CASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL8226356 0.88 MMP13 (0.40) PIK3CASMN1; SMN2GLSHPGDKDM4E
SCHEMBL10162893 0.88 MMP13 (0.40) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL10162862 0.87 TP53 (0.40) PIK3CASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL10162873 0.87 TP53 (0.44) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL10162840 0.87 L3MBTL1 (0.48) SMN1; SMN2HPGDKDM4EALDH1A1ADAMTS4

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 12 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PIK3CA 3066/4885SMN1; SMN2 4594/4885GLS 1120/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PIK3CA 3066/4885SMN1; SMN2 4594/4885GLS 1120/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PIK3CA 3066/4885SMN1; SMN2 4594/4885GLS 1120/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PIK3CA 3066/4885SMN1; SMN2 4594/4885GLS 1120/4885

“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.