SCHEMBL21994255

SCHEMBL21994255

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
HTT P42858 2/20 1.00
KDM4E B2RXH2 1/20 1.00
PTBP1 P26599 1/20 1.00
OPRK1 P41145 1/20 1.00
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
TOP2A P11388 2/20 0.72
SLC2A1 P11166 2/20 0.65
HSP90AA1 P07900 5/20 0.56
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
HKDC1 Q2TB90 4/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL9319986 1.00 ALDH1A1 (1.00) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL1027017 0.87 ALDH1A1 (0.77) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL10744131 0.85 SMN1; SMN2 (0.73) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL9321797 0.84 TOP2A (1.00) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL22056109 0.84 KDM4E (0.72) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL13522800 0.82 HTT (0.70) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL21994236 0.82 TOP2A (0.80) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL21994247 0.82 TOP2A (0.76) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL16675032 0.81 ALDH1A1 (0.69) ALDH1A1HTTKDM4EPTBP1OPRK1
SCHEMBL21994237 0.81 TOP2A (0.70) ALDH1A1HTTKDM4EPTBP1OPRK1

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 6 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

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 ALDH1A1 1017/4885HTT 295/4885KDM4E 4031/4885

“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.