SCHEMBL10162189

SCHEMBL10162189

[C-]#[N+]c1cc(CNC(=O)c2cc(C(=O)NCC34CCC(C(C)=O)(CC3)CC4)n3nccc3n2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PDE10A Q9Y233 2/20 0.34
METTL3 Q86U44 3/20 0.32
METTL14 Q9HCE5 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NAMPT P43490 1/20 0.30
KLKB1 P03952 1/20 0.30
KLK1 P06870 1/20 0.30

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
SCHEMBL10162268 0.89 MEN1 (0.32) ALDH1A1
SCHEMBL10162184 0.88 MMP13 (0.37) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162232 0.87 MMP13 (0.40) ADAMTS4MMP3MMP13ALDH1A1
SCHEMBL10162206 0.84 LMNA (0.42) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162179 0.84 MMP13 (0.39) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162203 0.84 SMN1; SMN2 (0.40) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162185 0.83 MMP13 (0.47) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162183 0.82 MMP13 (0.40) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162199 0.82 PDE2A (0.40) ADAMTS4MMP3MMP8MMP12MMP13
SCHEMBL10162181 0.82 HRH4 (0.44) MMP13HPGD

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 6 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-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-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 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 ADAMTS4 38/4885MMP3 3/4885MMP8 26/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP8 26/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP8 26/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP8 26/4885

“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.