SCHEMBL2193198

SCHEMBL2193198

CC(C)(O)c1cn(Cc2ccccc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.53
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALOX5 P09917 1/20 0.45
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL12203590 0.87 CYP19A1 (0.56) CYP19A1ALDH1A1LMNAHRH4NPC1
SCHEMBL937308 0.87 CYP19A1 (0.56) CYP19A1ALDH1A1LMNAHRH4NPC1
SCHEMBL16129974 0.84 HDAC1 (0.45) CYP19A1NPC1RAB9AALOX5KCNH2
SCHEMBL16206201 0.84 PTGS2 (0.47) LMNAALOX5KCNH2SIGMAR1HSP90AA1
SCHEMBL4224866 0.84 GBA1 (0.47) CYP19A1NPC1RAB9AALOX5KCNH2
SCHEMBL28928582 0.84 CYP19A1 (0.53) CYP19A1ALDH1A1LMNAHRH4NPC1
SCHEMBL14809691 0.83 HDAC1 (0.49) CYP19A1ALOX5KCNH2
SCHEMBL18925197 0.83 CYP19A1 (0.55) CYP19A1ALDH1A1LMNAHRH4NPC1
SCHEMBL12945041 0.80 CYP19A1 (0.49) CYP19A1ALDH1A1LMNAHRH4NPC1
SCHEMBL21816154 0.80 CYP19A1 (0.56) CYP19A1ALDH1A1LMNAHRH4NPC1

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-9375705-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-06-28 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
WO-2014172885-A1 GROUP 9 TRANSITION METAL CATALYSTS AND PROCESS FOR USE OF SAME GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-10-30 WO disclosed
US-20140302984-A1 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-10-09 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
WO-2010005127-A2 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-01-14 WO 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 (1 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-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof AOC3, AOC2, USP13 CYP19A1 2195/4885ALDH1A1 80/4885LMNA 4065/4885

“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.