SCHEMBL459004

SCHEMBL459004

NC1=CC(=O)C(=O)c2cccnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 1.00
TDP2 O95551 3/20 1.00
PAX8 Q06710 3/20 1.00
S100A4 P26447 6/20 0.74
PADI1 Q9ULC6 4/20 0.69
PADI3 Q9ULW8 4/20 0.69
PADI4 Q9UM07 4/20 0.69
PADI2 Q9Y2J8 4/20 0.69
TGM2 P21980 1/20 0.69
ABL1 P00519 1/20 0.59
PLCG1 P19174 1/20 0.59
CES1 P23141 1/20 0.59
RIN1 Q13671 1/20 0.59
GAA P10253 1/20 0.59
HKDC1 Q2TB90 3/20 0.55
PTPN1 P18031 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
THRB P10828 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
SCHEMBL2599216 0.85 S100A4 (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL4729919 0.81 PADI1 (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL579998 0.75 GAA (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL29551149 0.75 GAA (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL30774319 0.75 GAA (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL5915065 0.75 TDP2 (0.81) NSD2TDP2PAX8S100A4PADI1
SCHEMBL460433 0.75 TDP2 (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL29419580 0.75 TDP2 (1.00) NSD2TDP2PAX8S100A4PADI1
SCHEMBL3275080 0.73 TDP2 (0.95) NSD2TDP2PAX8S100A4PADI1
SCHEMBL5915061 0.73 GAA (0.86) NSD2TDP2PAX8S100A4PADI1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES Didenko, Kirill (US) 2025-07-03 US disclosed
CN-120091810-A Methods and highly bioavailable permeable compounds for treating viral diseases 基里尔·迪丹克 2025-06-03 CN disclosed
WO-2023187599-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES DIDENKO KIRILL (MX) 2023-10-05 WO disclosed
US-11732286-B2 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-22 US disclosed
US-11732286-B2 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-22 US disclosed
US-20220170070-A1 T5 EXONUCLEASE-BASED METHOD TO IDENTIFY DNA TOPOISOMERASE INHIBITORS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-06-02 US disclosed
US-20220119858-A1 T5 EXONUCLEASE-BASED METHOD TO IDENTIFY DNA TOPOISOMERASE INHIBITORS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-04-21 US disclosed
US-11268129-B1 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-03-08 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
WO-2010042500-A2 HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO disclosed
US-6841555-B2 Lavendamycin analogs, quinoline-5,8-diones and methods of using them BALL STATE UNIVERSITY (US) 2005-01-11 US disclosed
US-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM BALL STATE UNIVERSITY 2004-12-09 US disclosed
US-6444684-B1 ANTIBIOTIC AND ANTI-HIV REVERSE TRANSCRIPTASE (HIV-RT) ACTIVITY; TREATING HIV INFECTION AND ALSO WITH AZT; ANTITUMOR BALL STATE UNIVERSITY 2002-09-03 US disclosed
US-6030983-A ANTITUMOR AND -CARCINOGENIC AGENTS; ANTIBIOTICS; BACTERICIDES; VIRICIDES; PARACITICIDES; ENZYME INHIBITORS; POLYMERASES; FARNESYL-PROTEIN TRANSFERASE; RAS PROTEINS BALL STATE UNIVERSITY (US) 2000-02-29 US disclosed
US-5712289-A ANTITUMOR AGENTS, INTERMEDIATES FOR LAVENDAMYCINS BALL STATE UNIVERSITY (US) 1998-01-27 US disclosed
EP-0701557-A4 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1997-07-09 EP disclosed
US-5646150-A ADMINISTERING AS ANTITUMOR AGENT, ANTIPROTOZOA AGENT, VIRICIDE, PARASITICIDE, OR BACTERICIDE BALL STATE UNIVERSITY (US) 1997-07-08 US disclosed
US-5525611-A ANTITUMOR AGENT, BACTERICIDES, VIRICIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1996-06-11 US disclosed
EP-0701557-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ, Mohammad (US) 1996-03-20 EP disclosed
WO-1994029308-A1 LAVENDAMYCIN ANALOGS, THEIR USE AND PREPARATION BEHFOROUZ MOHAMMAD (US) 1994-12-22 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 (3 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-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES ACE2, FURIN, SARS1 NSD2 2340/4885TDP2 683/4885PAX8 4359/4885
US-20040248922-A1 LAVENDAMYCIN ANALOGS, QUINOLINE-5,8-DIONES AND METHODS OF USING THEM LSS, CYP51A1, COX5A NSD2 3405/4885TDP2 2510/4885PAX8 3843/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P NSD2 4199/4885TDP2 707/4885PAX8 4091/4885

“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.