SCHEMBL13623245

SCHEMBL13623245

[N-]=[N+]=NCc1cc(CN=[N+]=[N-])cc(CN=[N+]=[N-])c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.34
MCL1 Q07820 1/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NCOR2 Q9Y618 2/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.30

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
SCHEMBL15574020 0.92 GRIN2D (0.34) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL13615362 0.90 IDO1 (0.33) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL15572910 0.88 HDAC1 (0.31) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL13751664 0.88 HDAC8 (0.36) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL15786475 0.88 PGK1 (0.39) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL21527949 0.88 ALDH1A1 (0.32) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL20644675 0.86 HDAC8 (0.34) HDAC8HDAC3NCOR2
SCHEMBL13887515 0.85 GRIN2D (0.43) KAT2BHDAC8HDAC3HDAC1HDAC2
SCHEMBL13855830 0.85 TSHR (0.38) KAT2BMCL1HDAC8HDAC3HDAC1
SCHEMBL14270116 0.83 IDO1 (0.37) KAT2BMCL1HDAC8HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589522-A Oleanolic acid C28 glucose trimer derivative and application thereof 昆明理工大学 2023-08-15 CN claimed
CN-121249189-A Aromatic solid traditional Chinese painting pigment and preparation method thereof 山东米娅文化用品有限公司 2026-01-02 CN disclosed
WO-2025076148-A1 DIRECT AIR CAPTURE OF CARBON DIOXIDE WITH MOLECULAR POLYAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-10 WO disclosed
CN-116284772-B Bipyridine triazole covalent organic polymer and preparation method and application thereof 四川大学 2024-02-27 CN disclosed
CN-116284772-B Bipyridine triazole covalent organic polymer and preparation method and application thereof 四川大学 2024-02-27 CN disclosed
CN-116589522-A Oleanolic acid C28 glucose trimer derivative and application thereof 昆明理工大学 2023-08-15 CN disclosed
CN-115521455-B Preparation method of polytriazole polyether elastomer 北京理工大学 2023-06-30 CN disclosed
CN-116284772-A Bipyridine triazole covalent organic polymer and preparation method and application thereof 四川大学 2023-06-23 CN disclosed
CN-116284772-A Bipyridine triazole covalent organic polymer and preparation method and application thereof 四川大学 2023-06-23 CN disclosed
CN-108341951-B Dynamic polymer with hybrid cross-linked structure and application thereof 厦门天策材料科技有限公司 2023-06-20 CN disclosed
US-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-04-25 US disclosed
US-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-04-25 US disclosed
WO-2011130114-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-10-20 WO disclosed
US-20110065864-A1 Method for Crosslinking by Thermal Huisgen Reaction, Crosslinkable Chromophoric Polymers, and Crosslinked Polymer Substances Having Stable Electro-Optical Properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-03-17 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
US-20090196829-A1 MRI CONTRAST AGENTS AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2009-08-06 US disclosed
US-20090196829-A1 MRI CONTRAST AGENTS AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2009-08-06 US disclosed
US-20090092980-A1 miRNA PROCESSING INHIBITOR EFFICACY ASSAYS AND SUBSTANCES ARENZ CHRISTOPH 2009-04-09 US disclosed
US-20090092980-A1 miRNA PROCESSING INHIBITOR EFFICACY ASSAYS AND SUBSTANCES ARENZ CHRISTOPH 2009-04-09 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-20090092980-A1 miRNA PROCESSING INHIBITOR EFFICACY ASSAYS AND SUBSTANCES AGO2, NUDT21, RNASE1 KAT2B 2990/4885MCL1 367/4885HDAC8 1858/4885
US-20130101516-A1 NANOPARTICLES AND NANOPARTICLE COMPOSITIONS MCM6, MPI, MSH2 KAT2B 798/4885MCL1 11/4885HDAC8 1916/4885
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 KAT2B 2145/4885MCL1 1279/4885HDAC8 273/4885
US-20090196829-A1 MRI CONTRAST AGENTS AND RELATED METHODS OF USE MAG, AQP4, LPXN KAT2B 501/4885MCL1 2307/4885HDAC8 2265/4885

“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.