SCHEMBL21883124

SCHEMBL21883124

S=C(Nc1cccc(Cl)c1)Nc1ccn(C(=S)Nc2cccc(Cl)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL24221862 0.87 MEN1 (0.49) IDO1MEN1ALDH1A1KMT2AMAOA
SCHEMBL21883255 0.81 IDO1 (0.50) IDO1MEN1ALDH1A1KMT2AMAOA
SCHEMBL21883149 0.81 KMT2A (0.52) IDO1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21883515 0.78 NPC1 (0.51) MEN1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL32665823 0.78 NPC1 (0.51) MEN1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL26991 0.78 IDO1 (0.79) IDO1MEN1ALDH1A1KMT2AMAOA
SCHEMBL29481122 0.78 IDO1 (0.79) IDO1MEN1ALDH1A1KMT2AMAOA
SCHEMBL21883121 0.75 KMT2A (0.51) IDO1MEN1ALDH1A1KMT2AMAOA
SCHEMBL21883132 0.75 NPC1 (0.51) MEN1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL21883248 0.75 GAA (0.47) IDO1MEN1ALDH1A1KMT2AMAPT

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 IDO1 1055/4885MEN1 1706/4885ALDH1A1 2965/4885

“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.