SCHEMBL21964116

SCHEMBL21964116

S=c1[nH]nc(-c2ccccc2)n1CCCSc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
HAGH Q16775 1/20 0.61
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 3/20 0.56
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
APOBEC3G Q9HC16 2/20 0.50
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL21964125 0.92 HAGH (0.67) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21951988 0.80 TDP1 (0.74) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21952076 0.79 TDP1 (0.72) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21952067 0.78 TDP1 (0.70) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21951987 0.77 TDP1 (0.72) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21951992 0.76 HAGH (1.00) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21963935 0.76 HAGH (0.81) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21952068 0.76 TDP1 (0.71) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21951991 0.76 ALDH1A1 (0.72) TDP1HAGHALDH1A1HPGDGAA
SCHEMBL21951977 0.75 TDP1 (0.69) TDP1HAGHALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US claimed
CN-113874357-A Metallobeta-lactamase inhibitors 国家科学研究中心 2021-12-31 CN claimed
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US disclosed
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
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 TDP1 2693/4885HAGH 1320/4885ALDH1A1 547/4885

“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.