SCHEMBL941093

SCHEMBL941093

CC(=NNC(N)=S)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.70
HSP90AA1 P07900 4/20 0.62
SLC2A1 P11166 2/20 0.60
HKDC1 Q2TB90 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PTBP1 P26599 1/20 0.59
OPRK1 P41145 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ATM Q13315 1/20 0.58
METTL3 Q86U44 1/20 0.58
CTSK P43235 1/20 0.57
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL941092 1.00 TOP2A (0.70) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL9319994 1.00 TOP2A (0.70) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL28493225 0.98 TOP2A (0.68) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL28494134 0.98 TOP2A (0.68) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL22056136 0.84 TOP2A (0.76) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL5526339 0.84 NPC1 (0.63) TOP2AHSP90AA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10747534 0.84 TOP2A (0.61) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL29378716 0.84 NPC1 (0.63) TOP2AHSP90AA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27178963 0.84 TOP2A (0.70) TOP2AHSP90AA1SLC2A1HKDC1SMN1; SMN2
SCHEMBL800985 0.83 AGTR1 (0.53) TOP2AHKDC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN claimed
CN-110698512-B Tin complex with 2-acetylpyridine thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2021-09-24 CN claimed
CN-112062789-A Palladium complex taking 2-acetylpyridine thiosemicarbazone as ligand and synthetic method thereof 广西师范大学 2020-12-11 CN claimed
CN-112047980-A Rhodium complex with 2-acetylpyridine thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2020-12-08 CN claimed
CN-110698512-A Tin complex with 2-acetylpyridine thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2020-01-17 CN claimed
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2017-04-13 US claimed
EP-2030615-A2 Ribonucleotide reductase inhibitors for use in the treatment or prevention of neuroinflammatory or autoimmune diseases ELFORD, Howard L. (US) 2009-03-04 EP claimed
US-20090047250-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L 2009-02-19 US claimed
US-4777166-A DIOL VEHICLE; HERPES VIRUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1988-10-11 US claimed
US-4596798-A Herpes virus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1986-06-24 US claimed
US-20240219131-A1 SYSTEM AND METHODS FOR DETECTING FAILURE OF HEAT EXCHANGERS PENTAIR WATER POOL AND SPA, INC. 2024-07-04 US disclosed
WO-2024124297-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-06-20 WO disclosed
US-11471497-B1 Copper chelation therapeutics BERMUDES DAVID GORDON (US) 2022-10-18 US disclosed
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN disclosed
CN-110698512-B Tin complex with 2-acetylpyridine thiosemicarbazone as ligand and synthesis method thereof 广西师范大学 2021-09-24 CN disclosed
US-4665173-A ANTIMALARIAL, ANTILEUKEMIC UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 1987-05-12 US disclosed
US-4657903-A Transition metal complexes of the selenium analogs of 2-acetyl- and 2-propionylpyridine thiosemicarbazones useful for treating malarial infections and leukemia THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-04-14 US disclosed
US-4596798-A Herpes virus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1986-06-24 US disclosed
US-4596798-A Herpes virus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1986-06-24 US disclosed
US-4596798-A Herpes virus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1986-06-24 US 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-20090047250-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases RNASE1, RNASEH1, TXNRD3 TOP2A 2605/4885HSP90AA1 1149/4885SLC2A1 1918/4885
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases RNASE1, RNASEH1, TXNRD3 TOP2A 2605/4885HSP90AA1 1149/4885SLC2A1 1918/4885

“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.