SCHEMBL21807641

SCHEMBL21807641

Cn1ccc(NC(=S)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.69
RAB9A P51151 3/20 0.53
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
EPHX1 P07099 1/20 0.46
NOX1 Q9Y5S8 1/20 0.45
QPCT Q16769 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28620322 0.86 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL24221991 0.82 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21807656 0.82 NPC1 (1.00) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21883116 0.81 NPC1 (0.47) NPC1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21807649 0.81 MEN1 (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6496157 0.79 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23794881 0.77 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8956455 0.76 MAPT (0.75) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5445907 0.76 MAPT (0.75) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9371077 0.72 SMN1; SMN2 (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 5 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
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 NPC1 221/4885RAB9A 1761/4885MAPT 1521/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 NPC1 438/4885RAB9A 1707/4885MAPT 2375/4885

“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.