SCHEMBL420028

SCHEMBL420028

CN(CCCC(=O)c1cccnc1)N=O.NN=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PLOD2 O00469 2/20 0.44
KMT2A Q03164 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
PLOD3 O60568 1/20 0.41
PLOD1 Q02809 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
ALDH1A1 P00352 4/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL454516 0.96 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL29367901 0.96 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL20897346 0.92 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL19958136 0.84 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL1679777 0.84 HDAC1 (0.47) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL19582860 0.82 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL14443343 0.81 HDAC1 (0.57) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL5484016 0.80 HDAC1 (0.42) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL3933153 0.80 HDAC1 (0.50) HDAC1HDAC8PLOD2KMT2AF7
SCHEMBL18106043 0.79 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2AF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394592-B2 Methods for assessing cancer susceptibility to carcinogens in tobacco products THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-03-12 US claimed
US-20100173289-A1 Methods for Assessing Cancer Susceptibility to Carcinogens in Tobacco Products THE BOARD OF REGENTS, OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-07-08 US claimed
US-20250305030-A1 DNA ADDUCTOMICS BY MASS TAG PRELABELING UNIV NORTHEASTERN (US) 2025-10-02 US disclosed
US-12359243-B2 DNA adductomics by mass tag prelabeling NORTHEASTERN UNIVERSITY (US) 2025-07-15 US disclosed
EP-3865212-B1 MICROFLUIDIC DEVICES AND METHODS FOR USE THEREOF IN MULTICELLULAR ASSAYS OF SECRETION UNIV BRITISH COLUMBIA (CA) 2024-03-13 EP disclosed
US-20220241226-A1 Method of Treating Colorectal Cancers Using a PKC Inhibitor UNIV SOUTH FLORIDA (US) 2022-08-04 US disclosed
US-11337944-B2 Method of treating colorectal cancers using a PKC inhibitor UNIVERSITY OF SOUTH FLORIDA (US) 2022-05-24 US disclosed
US-20210340603-A1 DNA ADDUCTOMICS BY MASS TAG PRELABELING NORTHEASTERN UNIVERSITY 2021-11-04 US disclosed
EP-3865212-A1 MICROFLUIDIC DEVICES AND METHODS FOR USE THEREOF IN MULTICELLULAR ASSAYS OF SECRETION The University of British Columbia (CA) 2021-08-18 EP disclosed
EP-2978855-B1 MICROFLUIDIC DEVICES AND METHODS FOR USE THEREOF IN MULTICELLULAR ASSAYS OF SECRETION UNIV BRITISH COLUMBIA (CA) 2021-01-13 EP disclosed
US-10725024-B2 Microfluidic devices and methods for use thereof in multicellular assays of secretion THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-07-28 US disclosed
US-20030175372-A1 New method for producing antioxidant and prevention of cancer LIU YAGUANG (US) 2003-09-18 US disclosed
US-20030152647-A1 Safe botanical drug for treating malignant pleural effusion and cancer and increasing immune function LIU YAGUANG (US) 2003-08-14 US disclosed
US-6290995-B1 PRODUCING A PHARMACEUTICAL COMPOSITION OF BAICALIN FROM SCUTELLARIA BAICALENISIS GEORGI OR SCUTOLLARIA SCORDIFOLIA FISCH XINXIAN ZHAO (US) 2001-09-18 US disclosed
US-6166003-A Heterocyclic compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-5891633-A A KIT INCORPORATING THE GENETIC MATERIAL OF THE INVENTION FOR PERFORMING THE SAID METHODS SO AS TO DETERMINE THE PRESENCE OR ABSENCE OF MUTATIONS IN THE DRUG METABOLIZING GENE CYP2C9 AND CYP2A6. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-04-06 US disclosed
WO-1995034679-A2 DEFECTS IN DRUG METABOLISM THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-12-21 WO disclosed
US-5391568-A Administering catechin-3-gallate AMERICAN HEALTH FOUNDATION (US) 1995-02-21 US disclosed
US-5231209-A Phenylhexyl isothiocyanate AMERICAN HEALTH FOUNDATION (US) 1993-07-27 US disclosed
US-5114969-A Method of inhibiting lung tumors, arylalkyl isothiocyanates, and method of synthesizing same AMERICAN HEALTH FOUNDATION (US) 1992-05-19 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 (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-20030175372-A1 New method for producing antioxidant and prevention of cancer NFE2L2, PGC, GPX4 HDAC1 1100/4885HDAC8 779/4885PLOD2 139/4885

“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.