SCHEMBL21807644

SCHEMBL21807644

O=[N+]([O-])c1ccc(NC(=S)n2cccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 5/20 0.51
GAA P10253 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 10/20 0.50
MAPT P10636 6/20 0.50
HTT P42858 4/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
MGLL Q99685 1/20 0.47
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
QPCT Q16769 1/20 0.46

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
SCHEMBL24221853 0.86 MEN1 (0.47) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL21883217 0.85 FBP1 (0.47) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL18604415 0.79 ALDH1A1 (0.46) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL21883243 0.78 TDP1 (0.47) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL21883142 0.78 SMN1; SMN2 (0.49) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL21883137 0.78 SMN1; SMN2 (0.49) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL21883140 0.78 NPC1 (0.47) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL21883223 0.77 MEN1 (0.50) MEN1KMT2ALMNAGAAPOLB
SCHEMBL21883141 0.74 ALDH1A1 (0.52) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL6649165 0.73 LMNA (0.56) MEN1KMT2ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534440-B2 Compounds with copper- or zinc-activated toxicity against microbial infection KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2026-01-27 US disclosed
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION THE UAB RESEARCH FOUNDATION 2022-01-27 US disclosed
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 WO disclosed
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 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 (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-12534440-B2 Compounds with copper- or zinc-activated toxicity against microbial infection TST, SLC39A11, SLC39A3 MEN1 2146/4885KMT2A 2938/4885LMNA 4549/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 MEN1 1706/4885KMT2A 2961/4885LMNA 4664/4885

“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.