Sugi Predict

Sugi Predict / Compounds / SCHEMBL3133142

SCHEMBL3133142

SCHEMBL3133142

NC(=S)NN=C(c1ccccc1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.67
▸ HKDC1 Q2TB90 1/20 0.61
▸ CTSL P07711 5/20 0.57
▸ CTSB P07858 1/20 0.57
▸ RAB9A P51151 3/20 0.56
▸ NCOA3 Q9Y6Q9 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ NCOA1 Q15788 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ HTT P42858 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54

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
SCHEMBL13522802 1.00 AGTR1 (0.67) AGTR1HKDC1CTSLCTSBRAB9A
SCHEMBL29402921 0.91 AGTR1 (0.53) AGTR1HKDC1CTSLCTSBRAB9A
SCHEMBL800985 0.91 AGTR1 (0.53) AGTR1HKDC1CTSLCTSBRAB9A
SCHEMBL31690656 0.88 AGTR1 (0.70) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL29896251 0.82 TOP2A (0.68) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL29896301 0.82 TOP2A (0.68) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL13522803 0.82 TOP2A (0.68) AGTR1HKDC1RAB9ANCOA3NPC1
Benzophenone-Thiosemicarbazone SCHEMBL17666878 0.82 CTSL (0.80) CTSLCTSBCTSKATMMETTL3
SCHEMBL7086790 0.81 AGTR1 (0.62) AGTR1HKDC1RAB9ANCOA3NPC1
SCHEMBL7086491 0.81 AGTR1 (0.62) AGTR1HKDC1RAB9ANCOA3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713500-B Palladium complex using 2-benzoylpyridine thiosemicarbazone and synthetic method thereof 广西师范大学 2021-09-14 — — CN claimed
CN-112079877-A Platinum complex with 2-benzoylpyridine thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2020-12-15 — — CN claimed
CN-112028911-A Zinc complex taking 2-benzoylpyridine thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2020-12-04 — — CN claimed
CN-110713500-A Palladium complex using 2-benzoylpyridine thiosemicarbazone and synthetic method thereof 广西师范大学 2020-01-21 — — CN claimed
CN-105396142-A Human serum albumin-medicine compound, synthetic method and applications UNIV GUANGXI NORMAL 2016-03-16 — — CN claimed
WO-2024124297-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-06-20 — — WO disclosed
US-11541037-B2 Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV) KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2023-01-03 — — US disclosed
EP-3210017-B1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) UNIV KING ABDULLAH SCI & TECH (SA) 2021-10-06 — — EP disclosed
CN-110713500-B Palladium complex using 2-benzoylpyridine thiosemicarbazone and synthetic method thereof 广西师范大学 2021-09-14 — — CN disclosed
CN-110713500-B Palladium complex using 2-benzoylpyridine thiosemicarbazone and synthetic method thereof 广西师范大学 2021-09-14 — — CN disclosed
CN-112079851-B Gold complex of FTO (fluorine-doped tin oxide) small-molecule inhibitor and synthetic method thereof 广西师范大学 2021-09-10 — — CN disclosed
CN-112079877-A Platinum complex with 2-benzoylpyridine thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2020-12-15 — — CN disclosed
CN-105396142-A Human serum albumin-medicine compound, synthetic method and applications UNIV GUANGXI NORMAL 2016-03-16 — — CN 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-20150119429-A1 Iron Chelators as HIV-1 Inhibitors HOWARD UNIVERSITY (US) 2015-04-30 — — US disclosed
EP-2847163-A1 IRON CHELATORS AS HIV-1 INHIBITORS Howard University (US) 2015-03-18 — — EP disclosed
WO-2014078898-A1 CHEMOTHERAPY FOR DRUG-RESISTANT CANCER CELLS THE UNIVERSITY OF SYDNEY (AU) 2014-05-30 — — WO disclosed
WO-2013169361-A1 IRON CHELATORS AS HIV-1 INHIBITORS HOWARD UNIVERSITY (US) 2013-11-14 — — WO disclosed
WO-2010000008-A1 THIOSEMICARBAZONE COMPOUNDS AND USE THEREOF RICHARDSON DESI RAYMOND (AU) 2010-01-07 — — 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 AGTR1 1610/4885HKDC1 539/4885CTSL 1139/4885
US-20150119429-A1 Iron Chelators as HIV-1 Inhibitors SLC40A1, MPST, PSAT1 AGTR1 3762/4885HKDC1 3633/4885CTSL 2290/4885
US-11541037-B2 Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV) SARS1, BCDIN3D, OCIAD1 AGTR1 4360/4885HKDC1 3404/4885CTSL 2323/4885

“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.