SCHEMBL21883274

SCHEMBL21883274

S=C=Nc1ccc(NC(=S)n2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.46
CNR1 P21554 1/20 0.36
MIF P14174 1/20 0.36
FBP1 P09467 1/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
ADORA1 P30542 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
THRB P10828 1/20 0.31
NOS1 P29475 2/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 2/20 0.30

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
SCHEMBL21883217 0.85 FBP1 (0.47) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL18604415 0.79 ALDH1A1 (0.46) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL21883137 0.78 SMN1; SMN2 (0.49) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL21883243 0.78 TDP1 (0.47) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL21883140 0.78 NPC1 (0.47) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL21883142 0.78 SMN1; SMN2 (0.49) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL8889350 0.77 IDO1 (0.46) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL21883141 0.77 ALDH1A1 (0.52) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL21883283 0.77 P2RY6 (0.45) P2RY6CNR1MIFMAPTALDH1A1
SCHEMBL21883144 0.77 P2RY6 (0.45) P2RY6CNR1MIFMAPTMEN1

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
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

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 P2RY6 4381/4885CNR1 2760/4885MIF 218/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 P2RY6 3685/4885CNR1 3678/4885MIF 413/4885

“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.