SCHEMBL21820342

SCHEMBL21820342

C=CCN1C(=O)CN(C(=O)OC(C)(C)C)c2ccc(F)c(Br)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 2/20 0.30
HPGD P15428 2/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
USP30 Q70CQ3 1/20 0.30
DHODH Q02127 1/20 0.30
BRD4 O60885 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL30366308 1.00 HDAC1 (0.43) HDAC1HDAC6SCN5ASCN9AF13A1
SCHEMBL30366412 0.91 HDAC1 (0.44) HDAC1HDAC6SCN5ASCN9AGPR119
SCHEMBL20582330 0.91 HDAC1 (0.44) HDAC1HDAC6SCN5ASCN9AGPR119
SCHEMBL21820204 0.85 HDAC1 (0.45) HDAC1HDAC6SCN5ASCN9AGPR119
SCHEMBL30366302 0.85 HDAC1 (0.45) HDAC1HDAC6SCN5ASCN9AGPR119
SCHEMBL28980749 0.83 PTGDR2 (0.36) PTGDR2KDM4EALDH1A1GAA
SCHEMBL20582331 0.82 HDAC1 (0.43) HDAC1HDAC6SCN5ASCN9AGPR119
SCHEMBL30366038 0.82 HDAC1 (0.43) HDAC1HDAC6SCN5ASCN9AGPR119
SCHEMBL20582419 0.79 HDAC1 (0.40) HDAC1HDAC6SCN5ASCN9A
SCHEMBL30366161 0.79 HDAC1 (0.40) HDAC1HDAC6SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 EP disclosed
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 EP disclosed
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof Bugworks Research, Inc. (US) 2021-02-09 US disclosed
US-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF Bugworks Research, Inc. 2020-03-19 US 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 (2 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-20200085834-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF UROD, ALPI, HLA-A HDAC1 942/4885HDAC6 219/4885SCN5A 1747/4885
US-10912780-B2 Heterocyclic compounds useful as anti-bacterial agents and method for production thereof UROD, ALPI, HLA-A HDAC1 942/4885HDAC6 219/4885SCN5A 1747/4885

“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.