SCHEMBL8919908

SCHEMBL8919908

CNC(=O)Nc1ccc(CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.56
SAE1 Q9UBE0 3/20 0.50
UBA2 Q9UBT2 3/20 0.50
PLG P00747 2/20 0.49
KLK1 P06870 2/20 0.49
KLK6 Q92876 2/20 0.49
KLKB1 P03952 4/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
PLAU P00749 1/20 0.46
RAB9A P51151 1/20 0.46
GHSR Q92847 1/20 0.46

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
SCHEMBL27905664 0.88 RAB9A (0.58) KMT2ASAE1UBA2PLGKLK1
SCHEMBL821704 0.86 SAE1 (0.65) ALDH1A1KMT2ASAE1UBA2POLB
SCHEMBL27323392 0.84 KLKB1 (0.50) PLGKLK1KLK6KLKB1NPC1
SCHEMBL10155599 0.83 ALDH1A1 (0.78) ALDH1A1KMT2ASAE1UBA2POLB
SCHEMBL28245373 0.82 KLKB1 (0.49) ALDH1A1PLGKLK1KLK6KLKB1
SCHEMBL16919653 0.82 ALDH1A1 (0.60) ALDH1A1KMT2ASAE1UBA2POLB
SCHEMBL7472737 0.82 ALDH1A1 (0.60) ALDH1A1KMT2ASAE1UBA2POLB
SCHEMBL8324298 0.82 RAB9A (0.66) ALDH1A1KMT2ASAE1UBA2POLB
SCHEMBL4599285 0.82 CFD (0.51) ALDH1A1KMT2ASAE1UBA2NPC1
SCHEMBL17975956 0.81 GHSR (0.53) KMT2APLGKLK1KLK6KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 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 (3 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 1806/4885KMT2A 3548/4885SAE1 1965/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KMT2A 3548/4885SAE1 1965/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KMT2A 3548/4885SAE1 1965/4885

“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.