SCHEMBL1027017

SCHEMBL1027017

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
HTT P42858 2/20 0.77
KDM4E B2RXH2 1/20 0.77
PTBP1 P26599 1/20 0.77
OPRK1 P41145 1/20 0.77
RAB9A P51151 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
TOP2A P11388 2/20 0.53
SLC2A1 P11166 1/20 0.48
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
HKDC1 Q2TB90 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.44
AGTR1 P30556 1/20 0.44
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL13522800 0.92 HTT (0.70) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL9319986 0.87 ALDH1A1 (1.00) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL21994255 0.87 ALDH1A1 (1.00) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL16675032 0.84 ALDH1A1 (0.69) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL31690659 0.82 TOP2A (0.59) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL1025639 0.82 TOP2A (0.77) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL16675037 0.79 KDM4E (0.57) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL1025295 0.77 SMN1; SMN2 (0.59) ALDH1A1KDM4ERAB9ASMN1; SMN2TOP2A
SCHEMBL1024423 0.77 TOP2A (0.75) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL22056109 0.75 KDM4E (0.72) ALDH1A1HTTKDM4EPTBP1OPRK1

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 19 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
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 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 (2 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 ALDH1A1 285/4885HTT 1969/4885KDM4E 3114/4885
US-20060252798-A1 Metal ion chelators and therapeutic use thereof SLC40A1, SLC30A6, SLC39A3 ALDH1A1 1212/4885HTT 448/4885KDM4E 3347/4885

“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.