SCHEMBL21883142

SCHEMBL21883142

S=C(Nc1ccc(Br)cc1)n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4B Q07343 1/20 0.43
IDO1 P14902 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
FBP1 P09467 1/20 0.41
ELANE P08246 1/20 0.40

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 0.92 FBP1 (0.47) SMN1; SMN2ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL18604415 0.85 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL21883137 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTNPSR1PDE4B
SCHEMBL21883140 0.84 NPC1 (0.47) SMN1; SMN2ALDH1A1MAPTPDE4BMEN1
SCHEMBL21883243 0.84 TDP1 (0.47) SMN1; SMN2ALDH1A1MAPTMAOAMAOB
SCHEMBL8889350 0.80 IDO1 (0.46) SMN1; SMN2ALDH1A1MAPTIDO1MEN1
SCHEMBL21883141 0.80 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTMAOAMAOB
SCHEMBL21807644 0.78 MEN1 (0.51) SMN1; SMN2ALDH1A1MAPTMAOAMAOB
SCHEMBL21883274 0.78 P2RY6 (0.46) SMN1; SMN2ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL21883219 0.77 F2 (0.51) SMN1; SMN2ALDH1A1MAPTNPSR1IDO1

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 SMN1; SMN2 2548/4885ALDH1A1 1604/4885MAPT 1521/4885
US-20220024877-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION SLC39A11, CNBP, SLC39A3 SMN1; SMN2 3367/4885ALDH1A1 2965/4885MAPT 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.