SCHEMBL10164346

SCHEMBL10164346

COC(=O)c1cc(C)nc2nnnn12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TSHR P16473 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL8255593 0.82 KDM4E (0.38) HSD17B10ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8254132 0.76 L3MBTL1 (0.46) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4255080 0.76 MAPK1 (0.61) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8252285 0.75 ALDH1A1 (0.49) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8256933 0.75 KDM4E (0.41) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8246395 0.74 ALDH1A1 (0.46) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8253238 0.73 KDM4E (0.54) HSD17B10ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5155815 0.72 HSD17B10 (0.50) HSD17B10USP2ALDH1A1KMT2AMEN1
SCHEMBL8253076 0.72 ALDH1A1 (0.42) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8253259 0.71 KDM4E (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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 11 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-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 HSD17B10 501/4885USP2 1587/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HSD17B10 501/4885USP2 1587/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885USP2 1587/4885ALDH1A1 1806/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885USP2 1587/4885ALDH1A1 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.