SCHEMBL21883161

SCHEMBL21883161

COC(=O)c1ccn(C(=S)Nc2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHB3 P54753 3/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 2/20 0.40
F2 P00734 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
SCHEMBL21883158 0.88 KMT2A (0.52) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21883127 0.86 RAB9A (0.49) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL13210095 0.80 RAB9A (0.60) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21807645 0.80 MAPT (0.47) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21883269 0.79 LMNA (0.49) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL32665830 0.78 NPC1 (0.51) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21883132 0.78 NPC1 (0.51) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21883112 0.76 LMNA (0.49) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL21883218 0.74 RAB9A (0.56) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL6004828 0.73 RAB9A (0.63) KMT2ARAB9ANPC1ALDH1A1HTT

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 KMT2A 2961/4885RAB9A 1707/4885NPC1 438/4885

“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.