SCHEMBL1025308

SCHEMBL1025308

CN(C)C(=S)NN=C(c1ccccn1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 3/20 0.55
TOP2A P11388 2/20 0.49
AGTR1 P30556 2/20 0.49
LMNA P02545 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
APP P05067 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SNCA P37840 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL29404209 1.00 HKDC1 (0.55) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL29506909 0.91 HKDC1 (0.67) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL881251 0.91 HKDC1 (0.67) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL5839502 0.86 TOP2A (0.67) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL29723632 0.86 TOP2A (0.67) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL29882877 0.86 TOP2A (0.67) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL17207742 0.86 TOP2A (0.67) HKDC1TOP2AAGTR1LMNARAB9A
SCHEMBL12562236 0.86 HKDC1 (0.46) HKDC1TOP2AAGTR1RAB9AKDM4E
SCHEMBL9938958 0.85 HKDC1 (0.54) HKDC1TOP2AAGTR1LMNARAB9A
Hydrochloric Acid SCHEMBL9938465 0.84 HKDC1 (0.53) HKDC1TOP2AAGTR1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118217419-B Nanometer drug delivery system for overcoming tumor multidrug resistance and preparation method thereof 山东理工大学 2024-08-20 CN claimed
CN-118217419-A Nanometer drug delivery system for overcoming tumor multidrug resistance and preparation method thereof 山东理工大学 2024-06-21 CN claimed
WO-2023068423-A1 COMPLEX ANTICANCER DRUG COMPOSITION USING PHOTOREACTIVITY AND PREPARATION METHOD THEREFOR 닥터아이앤비(주) 2023-04-27 WO claimed
US-10012659-B2 Methods for diagnosing iron-related pathologies ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-07-03 US claimed
EP-2945629-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS ONCOCHEL THERAPEUTICS LLC (US) 2015-11-25 EP claimed
US-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells Oncochel Therapeutics LLC (US) 2015-10-29 US claimed
WO-2014078898-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS THE UNIVERSITY OF SYDNEY (AU) 2014-05-30 WO claimed
EP-2453892-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE FOR TREATING CANCER INST NAT SANTE RECH MED (FR) 2013-05-29 EP claimed
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 EP claimed
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 US disclosed
US-20250296971-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-09-25 US disclosed
EP-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 EP disclosed
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS INSTITUT JEAN PAOLI & IRENE CALMETTES CENTRE REGIONAL DE LUTTE CONTRE LE CANCER (FR) 2025-03-20 US disclosed
EP-4455159-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS WITH BIO-DISTRIBUTION MODIFIER 3B Pharmaceuticals GmbH (DE) 2024-10-30 EP disclosed
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 EP disclosed
WO-2010000008-A1 THIOSEMICARBAZONE COMPOUNDS AND USE THEREOF RICHARDSON DESI RAYMOND (AU) 2010-01-07 WO disclosed
EP-1608623-A4 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF NEWSOUTH INNOVATIONS PTY LTD (AU) 2007-07-18 EP disclosed
US-20060252798-A1 Metal ion chelators and therapeutic use thereof RICHARDSON, DESI (AU) 2006-11-09 US disclosed
EP-1608623-A1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF UNISEARCH LIMITED (AU) 2005-12-28 EP disclosed
WO-2004069801-A1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF UNISEARCH LIMITED (AU) 2004-08-19 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 (5 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-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells ABCC1, SLC47A1, ABCB1 HKDC1 539/4885TOP2A 152/4885AGTR1 1610/4885
US-20060252798-A1 Metal ion chelators and therapeutic use thereof SLC40A1, SLC30A6, SLC39A3 HKDC1 2582/4885TOP2A 641/4885AGTR1 2794/4885
US-20250296971-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS GIPR, VIP, GRPR HKDC1 2923/4885TOP2A 4853/4885AGTR1 200/4885
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS CA9, CA13, CA4 HKDC1 1295/4885TOP2A 3719/4885AGTR1 1186/4885
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS DCK, DTYMK, TYMP HKDC1 402/4885TOP2A 334/4885AGTR1 2553/4885

“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.