SCHEMBL21883217

SCHEMBL21883217

S=C(Nc1ccc(NC(=S)n2cccn2)cc1)n1cccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.47
NOS1 P29475 1/20 0.39
ELANE P08246 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18604415 0.93 ALDH1A1 (0.46) FBP1GAAMAPTLMNAL3MBTL1
SCHEMBL21883243 0.92 TDP1 (0.47) FBP1GAAMAPTLMNAMEN1
SCHEMBL21883142 0.92 SMN1; SMN2 (0.49) FBP1ELANEMAPTLMNAL3MBTL1
SCHEMBL21883137 0.92 SMN1; SMN2 (0.49) FBP1MAPTLMNAMEN1ALDH1A1
SCHEMBL21883140 0.92 NPC1 (0.47) FBP1MAPTLMNAMEN1ALDH1A1
SCHEMBL8889350 0.87 IDO1 (0.46) FBP1MAPTLMNAMEN1ALDH1A1
SCHEMBL21883141 0.87 ALDH1A1 (0.52) GAAMAPTLMNAMEN1ALDH1A1
SCHEMBL21883274 0.85 P2RY6 (0.46) FBP1NOS1GAAMAPTLMNA
SCHEMBL21807644 0.85 MEN1 (0.51) GAAMAPTLMNAMEN1ALDH1A1
SCHEMBL21883219 0.84 F2 (0.51) ELANEGAAMAPTLMNAMEN1

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 FBP1 2842/4885NOS1 323/4885ELANE 43/4885

“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.