SCHEMBL2193998

SCHEMBL2193998

CCCCCCc1cn(Cc2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 1.00
HDAC1 Q13547 1/20 0.61
HSP90AB1 P08238 1/20 0.58
HRH4 Q9H3N8 2/20 0.57
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL10044916 1.00 CYP19A1 (1.00) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL28533317 0.98 CYP19A1 (0.97) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL16206208 0.91 CYP19A1 (0.82) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL2641384 0.88 CYP19A1 (1.00) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL2194279 0.88 CYP19A1 (0.77) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL15795903 0.85 CYP19A1 (0.74) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL15796292 0.84 CYP19A1 (0.72) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL15836589 0.84 CYP19A1 (0.72) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL30657567 0.84 CYP19A1 (0.72) CYP19A1HDAC1HSP90AB1HRH4MAOA
SCHEMBL28220729 0.82 CYP19A1 (0.70) CYP19A1HDAC1HSP90AB1HRH4MAOA

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
CN-101704793-A 5-alkenyl-1, 4-disubstituted-1, 2, 3-triazole compound, preparation method and application thereof UNIV SOUTH CHINA TECH 2010-05-12 CN claimed
CN-112275322-B Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2022-01-25 CN disclosed
CN-112275322-A Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2021-01-29 CN disclosed
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-20140302984-A1 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-10-09 US disclosed
CN-101704793-B 5-alkenylated-1, 4-disubstituted-1, 2, 3-triazole compound and preparation method and application thereof UNIV SOUTH CHINA TECH 2012-05-09 CN disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
CN-101704793-A 5-alkenyl-1, 4-disubstituted-1, 2, 3-triazole compound, preparation method and application thereof UNIV SOUTH CHINA TECH 2010-05-12 CN 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 2195/4885HDAC1 3432/4885HSP90AB1 3863/4885

“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.