SCHEMBL293101

SCHEMBL293101

NC(=S)N/N=C/c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.68
CTH P32929 1/20 0.66
ADORA2A P29274 1/20 0.62
HKDC1 Q2TB90 1/20 0.59
RRM2 P31350 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RRM1 P23921 1/20 0.59
RRM2B Q7LG56 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.55

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
SCHEMBL534248 1.00 TOP2A (0.68) TOP2ACTHADORA2AHKDC1RRM2
SCHEMBL31690655 0.86 TOP2A (0.82) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL28284810 0.85 TOP2A (0.52) TOP2ACTHADORA2AHKDC1RRM2
SCHEMBL31690665 0.84 TOP2A (0.73) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL13826730 0.83 NPC1 (0.68) TOP2ACTHNPC1RAB9AMEN1
SCHEMBL2562208 0.83 TOP2A (0.68) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL14542967 0.83 NPC1 (0.59) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL4100136 0.83 NPC1 (0.59) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL4100134 0.83 NPC1 (0.59) TOP2ACTHADORA2AHKDC1NPC1
SCHEMBL2562207 0.83 TOP2A (0.68) TOP2ACTHADORA2AHKDC1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698511-B Tin complex with 2-pyridinecarboxaldehyde thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2021-09-14 CN claimed
US-20210229064-A1 BRANCHED POLYMER CROSS-LINKED GRAPHENE OXIDE ADSORBENT MATERIAL DUKE UNIVERSITY 2021-07-29 US claimed
CN-109810128-B Indium complex with 2-pyridylaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2021-04-02 CN claimed
CN-112079853-A Zinc complex with 2-pyridylaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西师范大学 2020-12-15 CN claimed
CN-110698511-A Tin complex with 2-pyridinecarboxaldehyde thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2020-01-17 CN claimed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US claimed
US-4655885-A DIRECTLY TRANSFERRING ELECTRONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-04-07 US claimed
EP-0187719-A2 Surface-modified electrode and its use in a bioelectrochemical process NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-07-16 EP claimed
US-12144833-B1 Copper chelation therapeutics BERMUDES DAVID GORDON (US) 2024-11-19 US disclosed
CN-118184574-A Modified polyoxometalate organic-inorganic hydrogel and preparation method and application thereof 河南大学 2024-06-14 CN disclosed
EP-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
EP-3475688-B1 ELECTRODE ARRANGEMENT WITH IMPROVED ELECTRON TRANSFER RATES FOR REDOX OF MOLECULES BOSCH GMBH ROBERT (DE) 2023-08-09 EP disclosed
EP-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 EP disclosed
US-11471497-B1 Copper chelation therapeutics BERMUDES DAVID GORDON (US) 2022-10-18 US disclosed
US-6458816-B1 ANTICANCER AGENTS VION PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-20020119955-A1 Modified prodrug forms of AP/AMP NANOTHERAPEUTICS, INC. 2002-08-29 US disclosed
WO-2002030424-A1 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS, INC. (US) 2002-04-18 WO disclosed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 EP disclosed
US-4655885-A DIRECTLY TRANSFERRING ELECTRONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-04-07 US disclosed
EP-0187719-A2 Surface-modified electrode and its use in a bioelectrochemical process NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-07-16 EP 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 (1 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-20020119955-A1 Modified prodrug forms of AP/AMP AP3B1, AP3D1, AP3M1 TOP2A 2539/4885CTH 2791/4885ADORA2A 323/4885

“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.