SCHEMBL502704

SCHEMBL502704

NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.58
MAPT P10636 5/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
PRSS1 P07477 3/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL29375013 1.00 KAT2B (0.58) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL10622798 0.91 KAT2B (0.72) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL8107611 0.90 MAPT (0.60) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL2228520 0.89 KAT2B (0.66) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL30413993 0.88 KAT2B (0.64) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL2228171 0.88 KAT2B (0.64) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL17923845 0.88 KAT2B (0.64) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL4557828 0.88 KAT2B (0.64) KAT2BMAPTPOLBPKMKDM4E
Hydrochloric Acid SCHEMBL4699216 0.87 KAT2B (0.65) KAT2BMAPTPOLBPKMKDM4E
SCHEMBL8147273 0.87 MAPT (0.65) KAT2BMAPTPOLBPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109477844-A For detecting the chemiluminescence biosensor of coagulation factor 李知勋 2019-03-15 CN claimed
JP-60169495-A None JP disclosed
US-20250115546-A1 LINKERS FOR ANTIBODY DRUG CONJUGATES UNIV TEXAS (US) 2025-04-10 US disclosed
US-12084403-B2 Linkers for antibody drug conjugates THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-09-10 US disclosed
EP-4335460-A2 COMPOSITIONS AND METHODS FOR TREATING GRANULOMATOSIS WITH POLYANGIITIS Canem Holdings, LLC (US) 2024-03-13 EP disclosed
US-20240059647-A1 LINKERS FOR ANTIBODY DRUG CONJUGATES UNIV TEXAS (US) 2024-02-22 US disclosed
EP-3253406-B1 COMPOSITIONS FOR TREATING GRANULOMATOSIS WITH POLYANGIITIS CANEM HOLDINGS LLC (US) 2023-11-01 EP disclosed
US-20230241189-A1 Compositions and Methods for Treating Granulomatosis with Polyangiitis CANEM HOLDINGS, LLC 2023-08-03 US disclosed
US-11629122-B2 Linkers for antibody drug conjugates THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-18 US disclosed
CN-110596365-B Method and kit for determining cholesterol loading capacity of lipoprotein 希森美康株式会社 2022-11-15 CN disclosed
US-6407206-B1 PEPTIDE SUBSTRATE AND OLIGOPEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
EP-1212619-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS Xenoport, Inc. (US) 2002-06-12 EP disclosed
EP-1089988-A1 FLUOROPHENYL RESIN COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
WO-2001020331-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2001-03-22 WO disclosed
EP-1046650-A1 PEPTIDES, METHOD FOR ASSAYING HUMAN PEPSINOGEN II or HUMAN PEPSIN II, AND ASSAYING KIT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-25 EP disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
EP-0959078-A1 PEPTIDES, METHODS FOR ASSAYING HUMAN PEPSINOGEN I OR HUMAN PEPSIN I, AND ASSAY KITS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-11-24 EP disclosed
JP-S60169495-A MODIFIED DNA AND USE THEREOF TAKEDA CHEM IND LTD 1985-09-02 JP disclosed
US-4185090-A PARTIALLY DETOXIFIED LIPOPOLYSACCHARIDE COVALENTY COUPLED TO A PROTEIN ANTIGEN ABBOTT LABORATORIES (US) 1980-01-22 US disclosed
US-4057685-A Chemically modified endotoxin immunizing agent ABBOTT LABORATORIES (US) 1977-11-08 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-20250115546-A1 LINKERS FOR ANTIBODY DRUG CONJUGATES CD47, EPCAM, SDCBP KAT2B 2235/4885MAPT 513/4885POLB 3987/4885
US-12084403-B2 Linkers for antibody drug conjugates CD47, EPCAM, SDCBP KAT2B 2235/4885MAPT 513/4885POLB 3987/4885
US-20240059647-A1 LINKERS FOR ANTIBODY DRUG CONJUGATES CD47, EPCAM, SDCBP KAT2B 2235/4885MAPT 513/4885POLB 3987/4885
US-11629122-B2 Linkers for antibody drug conjugates CD47, EPCAM, FCGRT KAT2B 1974/4885MAPT 589/4885POLB 3635/4885

“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.