SCHEMBL9938958

SCHEMBL9938958

CCN(C)C(=S)NN=C(c1ccccn1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 3/20 0.54
TOP2A P11388 2/20 0.48
AGTR1 P30556 1/20 0.45
HTT P42858 6/20 0.44
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 3/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PTBP1 P26599 1/20 0.41
OPRK1 P41145 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41

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
Hydrochloric Acid SCHEMBL9938465 0.99 HKDC1 (0.53) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL13522811 0.92 HKDC1 (0.65) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL1025308 0.85 HKDC1 (0.55) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL29404209 0.85 HKDC1 (0.55) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL29506909 0.78 HKDC1 (0.67) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL881251 0.78 HKDC1 (0.67) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL12955842 0.77 TOP2A (0.56) HKDC1TOP2AAGTR1HTTSMN1; SMN2
SCHEMBL1025639 0.77 TOP2A (0.77) HKDC1TOP2AAGTR1HTTLMNA
SCHEMBL31690659 0.77 TOP2A (0.59) HKDC1TOP2AAGTR1HTTSMN1; SMN2
SCHEMBL10697881 0.76 TOP2A (0.49) HKDC1TOP2AHTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125920-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER Del Mar Pharmaceuticals (CA) 2017-02-08 EP claimed
WO-2015154064-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2015-10-08 WO claimed
US-8927580-B2 Thiosemicarbazone compounds and use in the treatment of cancer Oncochel Therapeutics LLC (US) 2015-01-06 US claimed
US-20140206725-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER ONCOCHEL THERAPEUTICS, LLC 2014-07-24 US claimed
EP-2651894-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER Richardson, Des R (AU) 2013-10-23 EP claimed
WO-2012079128-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER RICHARDSON DES R (AU) 2012-06-21 WO claimed
WO-2024124297-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-06-20 WO disclosed
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 US disclosed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
EP-3125920-B1 DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL OR DIBROMODULCITOL TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2020-12-23 EP disclosed
US-20190269646-A9 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-09-05 US disclosed
US-20190000850-A1 COMBINATION CANCER THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-03 US disclosed
US-20180140571-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES BACHA JEFFREY (CA) 2018-05-24 US disclosed
US-8927580-B2 Thiosemicarbazone compounds and use in the treatment of cancer Oncochel Therapeutics LLC (US) 2015-01-06 US disclosed
US-8927580-B2 Thiosemicarbazone compounds and use in the treatment of cancer Oncochel Therapeutics LLC (US) 2015-01-06 US disclosed
US-20140206725-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER ONCOCHEL THERAPEUTICS, LLC 2014-07-24 US disclosed
US-20140206725-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER ONCOCHEL THERAPEUTICS, LLC 2014-07-24 US disclosed
US-20140206725-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER ONCOCHEL THERAPEUTICS, LLC 2014-07-24 US disclosed
EP-2651894-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER Richardson, Des R (AU) 2013-10-23 EP disclosed
WO-2012079128-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER RICHARDSON DES R (AU) 2012-06-21 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-20140206725-A1 THIOSEMICARBAZONE COMPOUNDS AND USE IN THE TREATMENT OF CANCER ETV6, TPMT, ABCB1 HKDC1 1474/4885TOP2A 100/4885AGTR1 1749/4885
US-20190269646-A9 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK HKDC1 1217/4885TOP2A 20/4885AGTR1 4414/4885
US-20180140571-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF IN COMBINATION WITH PLATINUM-CONTAINING ANTINEOPLASTIC AGENTS TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND BRAIN METASTASES DNMT1, MGMT, DCK HKDC1 1217/4885TOP2A 20/4885AGTR1 4414/4885
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK HKDC1 1217/4885TOP2A 20/4885AGTR1 4414/4885
US-20190000850-A1 COMBINATION CANCER THERAPY TP53, MCL1, TOP2A HKDC1 206/4885TOP2A 3/4885AGTR1 3954/4885

“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.