SCHEMBL21963935

SCHEMBL21963935

S=c1[nH]nc(-c2ccccc2)n1CCSCCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAGH Q16775 1/20 0.81
ALDH1A1 P00352 8/20 0.63
HPGD P15428 6/20 0.63
GAA P10253 5/20 0.63
KDM4E B2RXH2 4/20 0.63
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL21951992 0.89 HAGH (1.00) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21951991 0.87 ALDH1A1 (0.72) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21952076 0.85 TDP1 (0.72) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21964058 0.83 HAGH (0.67) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21964146 0.82 HAGH (0.69) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21964046 0.81 HAGH (0.84) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21964125 0.81 HAGH (0.67) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21964112 0.79 HAGH (0.72) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL24176458 0.78 HAGH (0.78) HAGHALDH1A1HPGDGAAKDM4E
SCHEMBL21952027 0.78 ALDH1A1 (0.67) HAGHALDH1A1HPGDGAAKDM4E

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 1320/4885ALDH1A1 547/4885HPGD 429/4885

“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.