SCHEMBL1025639

SCHEMBL1025639

CCNC(=S)NN=C(c1ccccn1)c1ccccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.77
HTT P42858 3/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PTBP1 P26599 1/20 0.55
OPRK1 P41145 1/20 0.55
RAB9A P51151 1/20 0.55
SLC2A1 P11166 2/20 0.54
HKDC1 Q2TB90 3/20 0.47
AGTR1 P30556 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSP90AA1 P07900 2/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL13522778 0.92 TOP2A (0.70) TOP2AHTTLMNAKDM4EL3MBTL1
SCHEMBL9321797 0.87 TOP2A (1.00) TOP2AHTTLMNAKDM4EL3MBTL1
SCHEMBL31690659 0.86 TOP2A (0.59) TOP2AHTTKDM4EALDH1A1TDP1
SCHEMBL25062479 0.83 TOP2A (0.74) TOP2AHTTLMNAKDM4EL3MBTL1
SCHEMBL25062203 0.83 TOP2A (0.74) TOP2AHTTLMNAKDM4EL3MBTL1
SCHEMBL1024423 0.83 TOP2A (0.75) TOP2AHTTLMNAKDM4EALDH1A1
SCHEMBL16675034 0.82 TOP2A (0.68) TOP2AHTTLMNAKDM4EL3MBTL1
SCHEMBL1027017 0.82 ALDH1A1 (0.77) TOP2AHTTLMNAKDM4EALDH1A1
SCHEMBL25062200 0.81 TOP2A (0.67) TOP2AHTTLMNAKDM4EL3MBTL1
SCHEMBL25062770 0.81 TOP2A (0.67) TOP2AHTTLMNAKDM4EL3MBTL1

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-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-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 EP 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 disclosed
US-20170016923-A1 METHODS FOR DIAGNOSING IRON-RELATED PATHOLOGIES THE ARIZONA BOARD OF REGENTS OF BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-01-19 US disclosed
EP-2945629-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS ONCOCHEL THERAPEUTICS LLC (US) 2015-11-25 EP disclosed
US-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells Oncochel Therapeutics LLC (US) 2015-10-29 US disclosed
US-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells Oncochel Therapeutics LLC (US) 2015-10-29 US disclosed
WO-2015142882-A1 METHODS FOR DIAGNOSING IRON-RELATED PATHOLOGIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-09-24 WO disclosed
WO-2014078898-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS THE UNIVERSITY OF SYDNEY (AU) 2014-05-30 WO disclosed
US-20130243741-A1 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-19 US disclosed
US-20130243741-A1 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-19 US disclosed
WO-2012040105-A2 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-03-29 WO disclosed
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 EP 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 (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-20150306081-A1 Chemotherapy for Drug-Resistant Cancer Cells ABCC1, SLC47A1, ABCB1 TOP2A 152/4885HTT 1969/4885LMNA 3818/4885
US-20060252798-A1 Metal ion chelators and therapeutic use thereof SLC40A1, SLC30A6, SLC39A3 TOP2A 641/4885HTT 448/4885LMNA 4715/4885
US-20130243741-A1 RENILLA/GAUSSIA TRANSFECTED CELLS AS A LIGHT SOURCE FOR IN-SITU PHOTODYNAMIC THERAPY OF CANCER PPOX, TFRC, GLB1 TOP2A 4082/4885HTT 3106/4885LMNA 3810/4885

“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.