SCHEMBL905439

SCHEMBL905439

CCC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.65
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
APP P05067 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
PLOD3 O60568 1/20 0.57
PLOD1 Q02809 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
SIRT4 Q9Y6E7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL29626189 1.00 PLOD2 (0.65) PLOD2ALDH1A1GAAAPPHCAR3
Bromide SCHEMBL27962027 0.98 PLOD2 (0.62) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL30696670 0.87 PLOD2 (0.59) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL11809006 0.85 PLOD2 (0.67) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL552724 0.85 PLOD2 (0.61) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL29350386 0.85 PLOD2 (0.61) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL7075878 0.83 PLOD2 (0.69) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL10320930 0.83 PLOD2 (0.89) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL29554726 0.83 PLOD2 (0.89) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL31231125 0.82 PLOD2 (0.57) PLOD2ALDH1A1GAAAPPHCAR3

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 378 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119375400-A Sample pretreatment method for detecting CD38 enzyme activity in whole blood sample and method for detecting blood CD38 enzyme activity by high performance liquid chromatography 北京医院 2025-01-28 CN claimed
CN-106103426-B 8- (piperazine -1- base) -1,2,3,4- tetrahydro-isoquinoline derivative 爱杜西亚药品有限公司 2019-03-19 CN claimed
EP-1915149-B1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AETERNA ZENTARIS GMBH (DE) 2018-10-10 EP claimed
CN-107250133-A Hydroxyalkyl piperazine derivatives as CXCR3 receptor modulators 爱杜西亚药品有限公司 2017-10-13 CN claimed
CN-104093715-B 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives 埃科特莱茵药品有限公司 2017-04-26 CN claimed
CN-106103426-A 8 (piperazine 1 base) 1,2,3,4 tetrahydro isoquinoline derivatives 埃科特莱茵药品有限公司 2016-11-09 CN claimed
CN-104093715-A 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD 2014-10-08 CN claimed
US-8710089-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2014-04-29 US claimed
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2010-12-30 US claimed
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-02-12 US claimed
EP-1958631-A1 Novel triazole derivatives as ligands of G-protein coupled receptors AEterna Zentaris GmbH (DE) 2008-08-20 EP claimed
EP-1915149-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AEterna Zentaris GmbH (DE) 2008-04-30 EP claimed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 US claimed
EP-1757290-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors Zentaris GmbH (DE) 2007-02-28 EP claimed
WO-2007020013-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2007-02-22 WO claimed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 US claimed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
EP-0159769-B1 ELECTROCHEMICAL OXIDATION OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1991-03-27 EP claimed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US claimed

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-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 PLOD2 2569/4885ALDH1A1 3459/4885GAA 1604/4885
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 PLOD2 2569/4885ALDH1A1 3459/4885GAA 1604/4885
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors GIPR, GHSR, GPR119 PLOD2 2569/4885ALDH1A1 3459/4885GAA 1604/4885
US-20090042905-A1 TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR3, GRK3, GPR88 PLOD2 4608/4885ALDH1A1 2149/4885GAA 3696/4885

“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.