SCHEMBL21994236

SCHEMBL21994236

CCCNC(=S)N/N=C(\C)c1ccccn1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.80
SLC2A1 P11166 2/20 0.75
SMN1; SMN2 Q16637 3/20 0.69
RAB9A P51151 3/20 0.69
HTT P42858 2/20 0.69
OPRK1 P41145 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
PTBP1 P26599 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
HSP90AA1 P07900 5/20 0.58
LMNA P02545 2/20 0.57
HKDC1 Q2TB90 4/20 0.56
NPC1 O15118 2/20 0.49
AGTR1 P30556 2/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL10629123 0.92 TOP2A (0.76) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL10629158 0.90 TOP2A (0.73) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL10624738 0.90 TOP2A (0.73) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL21994247 0.89 TOP2A (0.76) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL9321797 0.89 TOP2A (1.00) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL21994237 0.86 TOP2A (0.70) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL26908634 0.86 TOP2A (0.70) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL10628272 0.86 SLC2A1 (0.78) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
Bromide SCHEMBL9320029 0.85 TOP2A (0.70) TOP2ASLC2A1SMN1; SMN2RAB9AHTT
SCHEMBL22056636 0.83 SLC2A1 (0.77) TOP2ASLC2A1SMN1; SMN2RAB9AHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059160-A1 Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof TSINGHUA UNIVERSITY (CN) 2025-02-20 US claimed
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN claimed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO claimed
US-20250059160-A1 Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof TSINGHUA UNIVERSITY (CN) 2025-02-20 US disclosed
CN-115197126-A Novel NMNAT enzyme agonist and preparation and application thereof 清华大学 2022-10-18 CN disclosed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO disclosed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 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 (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-20250059160-A1 Chemical Activators of Nicotinamide Mononucleotide adenylyltransferase 2 (NMNAT2) and Uses Thereof NAMPT, NNMT, NAPRT TOP2A 1926/4885SLC2A1 430/4885SMN1; SMN2 347/4885

“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.