SCHEMBL409015

SCHEMBL409015

[C-]#[N+]c1ccc([N+]#[C-])cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
Hydrochloric Acid SCHEMBL8350544 0.80 CA1 (0.36)
SCHEMBL9331806 0.80 ALDH1A1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13410607 0.76 ACHE (0.42)
SCHEMBL9662332 0.76
SCHEMBL327111 0.76 ALDH1A1 (0.41)
SCHEMBL838030 0.72 MAPT (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12023662 0.72 ALDH1A1 (0.62)
SCHEMBL4545230 0.72 ALDH1A1 (0.48)
SCHEMBL5589796 0.71 TSHR (0.32)
SCHEMBL13019483 0.71 KIF11 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119985444-A Method for detecting H atom orientation of mercapto on metal nanoparticle surface after adsorption 山东理工大学 2025-05-13 CN claimed
CN-119708398-A Alkali ion type covalent organic framework material and preparation method and application thereof 中国石油化工股份有限公司 2025-03-28 CN claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO claimed
CN-114262446-A C, N atom coordinated two-dimensional metal organic framework and preparation method thereof 上海交通大学 2022-04-01 CN claimed
CN-112375217-A Self-repairing material and preparation method thereof 嘉兴市轩禾园艺技术有限公司 2021-02-19 CN claimed
US-20180198163-A1 Non-aqueous electrolytes for lithium-ion batteries comprising an isocyanide GOTION INC (US) 2018-07-12 US claimed
US-8674128-B2 Conductive organometallic framework THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US claimed
US-8563465-B2 Hydrogen storage material JX NIPPON OIL & ENERGY CORPORATION (JP) 2013-10-22 US claimed
US-20120017668-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-26 US claimed
EP-2382043-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK The Regents of the University of California (US) 2011-11-02 EP claimed
WO-2010083418-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 WO claimed
EP-0406334-A4 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION 1991-11-13 EP claimed
EP-0406334-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1991-01-09 EP claimed
WO-1990000572-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1990-01-25 WO claimed
CN-119708398-B Alkali ion type covalent organic framework material and preparation method and application thereof 中国石油化工股份有限公司 2026-04-07 CN disclosed
US-20250242086-A1 THERAPEUTIC BIOMATERIAL THAT ATTENUATES THE FOREIGN BODY RESPONSE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-07-31 US disclosed
CN-119985444-A Method for detecting H atom orientation of mercapto on metal nanoparticle surface after adsorption 山东理工大学 2025-05-13 CN disclosed
US-4650558-A Semiconductor electrode with improved photostability characteristics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1987-03-17 US disclosed
US-4476003-A ELECTRODE PROTECTIVE COATING; ADHESION; PHOTOSTABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1984-10-09 US disclosed
US-4461691-A PROTECTIVE CHARGE CONDUCTIVE POLYMER COATINGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1984-07-24 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 (2 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-20180198163-A1 Non-aqueous electrolytes for lithium-ion batteries comprising an isocyanide HCN3, HCN2, CCNL2 HDAC3 1993/4885HDAC4 3700/4885HDAC1 2121/4885
US-20120017668-A1 CONDUCTIVE ORGANOMETALLIC FRAMEWORK IDH2, DBF4, HCN4 HDAC3 3150/4885HDAC4 3063/4885HDAC1 2167/4885

“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.