SCHEMBL21963934

SCHEMBL21963934

O=[N+]([O-])c1ccccc1CSCCn1c(-c2ccccc2)n[nH]c1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAGH Q16775 1/20 0.65
APOBEC3G Q9HC16 8/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
GFER P55789 2/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
APOBEC3A P31941 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 1/20 0.41

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
SCHEMBL21963930 0.83 HAGH (0.75) HAGHAPOBEC3GKMT2ATDP1ALDH1A1
SCHEMBL24176461 0.82 HAGH (0.58) HAGHAPOBEC3GKMT2ATDP1ALDH1A1
SCHEMBL21964112 0.81 HAGH (0.72) HAGHKMT2ATDP1ALDH1A1HPGD
SCHEMBL24176460 0.81 HAGH (0.67) HAGHKMT2ATDP1ALDH1A1HPGD
SCHEMBL21951992 0.79 HAGH (1.00) HAGHAPOBEC3GKMT2ATDP1ALDH1A1
SCHEMBL21964103 0.75 HAGH (0.66) HAGHAPOBEC3GKMT2ATDP1ALDH1A1
SCHEMBL21964146 0.75 HAGH (0.69) HAGHKMT2ATDP1ALDH1A1HPGD
SCHEMBL21963935 0.74 HAGH (0.81) HAGHKMT2ATDP1ALDH1A1HPGD
SCHEMBL21964046 0.74 HAGH (0.84) HAGHAPOBEC3GKMT2ATDP1ALDH1A1
SCHEMBL24176458 0.74 HAGH (0.78) HAGHAPOBEC3GKMT2ATDP1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874357-A Metallobeta-lactamase inhibitors 国家科学研究中心 2021-12-31 CN claimed
EP-3880665-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Centre national de la recherche scientifique (FR) 2021-09-22 EP claimed
WO-2020099645-A1 INHIBITORS OF METALLO-BETA-LACTAMASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-05-22 WO claimed
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US disclosed
CN-113874357-A Metallobeta-lactamase inhibitors 国家科学研究中心 2021-12-31 CN disclosed
EP-3880665-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Centre national de la recherche scientifique (FR) 2021-09-22 EP disclosed
WO-2020099645-A1 INHIBITORS OF METALLO-BETA-LACTAMASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-05-22 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-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, LCT, MGAM2 HAGH 1320/4885APOBEC3G 1021/4885KMT2A 1808/4885

“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.