SCHEMBL10165302

SCHEMBL10165302

COC(=O)c1cc(C(=O)O)n2nc(-c3ccccc3)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 7/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL10165274 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL10165303 0.83 SMN1; SMN2 (0.56) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL8249377 0.81 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL8253933 0.80 KDM4E (0.40) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL10165300 0.78 PHGDH (0.46) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL8253879 0.77 KDM4E (0.46) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL4215549 0.76 PIM1 (0.45) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL10165277 0.75 SMN1; SMN2 (0.58) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL14014123 0.75 KDM4E (0.79) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL13501425 0.74 HSD17B10 (0.60) ALDH1A1KDM4EHSD17B10HPGDSMN1; 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 10 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
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 ALDH1A1 1806/4885KDM4E 2058/4885HSD17B10 501/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HSD17B10 501/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HSD17B10 501/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885HSD17B10 501/4885

“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.