SCHEMBL21883121

SCHEMBL21883121

S=C(Nc1cccc(Cl)c1)n1cccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NLRP3 Q96P20 1/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 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
SCHEMBL24221933 0.85 KMT2A (0.46) KMT2ALMNAIDO1ALDH1A1MAPT
SCHEMBL21883137 0.83 SMN1; SMN2 (0.49) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL21883219 0.82 F2 (0.51) KMT2ALMNAIDO1ALDH1A1MAPT
SCHEMBL18604415 0.81 ALDH1A1 (0.46) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL21883217 0.81 FBP1 (0.47) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL21883224 0.78 RAB9A (0.54) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL21883149 0.77 KMT2A (0.52) KMT2ALMNAIDO1MAPTMEN1
SCHEMBL21883255 0.77 IDO1 (0.50) KMT2ALMNAIDO1ALDH1A1MAPT
SCHEMBL21883221 0.77 MAPT (0.46) KMT2ALMNAMAPTMEN1SMN1; SMN2
SCHEMBL32665823 0.74 NPC1 (0.51) KMT2ALMNAALDH1A1MAPTMEN1

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 KMT2A 2938/4885LMNA 4549/4885IDO1 2303/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 KMT2A 2961/4885LMNA 4664/4885IDO1 1055/4885

“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.