SCHEMBL21883515

SCHEMBL21883515

O=C(O)c1ccn(C(=S)Nc2cccc(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
P4HTM Q9NXG6 1/20 0.49
KMT2A Q03164 7/20 0.48
LMNA P02545 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GRM4 Q14833 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL32665823 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBP4HTM
SCHEMBL6522071 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2POLBP4HTM
SCHEMBL21883132 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL32665830 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL2909021 0.85 F2 (0.55) RAB9ASMN1; SMN2POLBP4HTMKMT2A
SCHEMBL21883160 0.83 POLB (0.55) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL32665832 0.83 POLB (0.55) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL21883255 0.80 IDO1 (0.50) KMT2ALMNAMEN1MAPTHTT
SCHEMBL21883149 0.80 KMT2A (0.52) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL21883124 0.78 IDO1 (0.51) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 NPC1 438/4885RAB9A 1707/4885SMN1; SMN2 3367/4885

“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.