SCHEMBL21951968

SCHEMBL21951968

Cc1ccccc1-c1n[nH]c(=S)n1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
PKM P14618 1/20 0.60
POLB P06746 3/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 3/20 0.56
KMT2A Q03164 2/20 0.54
GFER P55789 2/20 0.54
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX12 P18054 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL24176302 0.86 ALDH1A1 (0.60) ALDH1A1PKMPOLBKDM4EGAA
SCHEMBL24176313 0.83 HAGH (0.73) ALDH1A1PKMPOLBKDM4EGAA
SCHEMBL21951991 0.82 ALDH1A1 (0.72) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL8978522 0.81 ALDH1A1 (0.73) ALDH1A1PKMPOLBKDM4EGAA
SCHEMBL21951961 0.80 GLO1 (0.53) ALDH1A1PKMPOLBKDM4EGAA
SCHEMBL21951971 0.76 KMT2A (0.55) ALDH1A1KDM4EGAAKMT2AGFER
SCHEMBL8978544 0.76 ALDH1A1 (1.00) ALDH1A1PKMPOLBKDM4EGAA
SCHEMBL21952076 0.74 TDP1 (0.72) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL21952027 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EGAAKMT2AHSD17B10
SCHEMBL21951965 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EGAAKMT2AGFER

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 6 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
EP-3653611-A1 INHIBITORS OF METALLO-BETA-LACTAMASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-05-20 EP 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-3653611-A1 INHIBITORS OF METALLO-BETA-LACTAMASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-05-20 EP 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 ALDH1A1 547/4885PKM 2542/4885POLB 361/4885

“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.