SCHEMBL21669697

SCHEMBL21669697

CCOC(=O)c1csc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.56
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.43
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
ESR2 Q92731 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
NR1H2 P55055 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL23833388 0.91 ADORA1 (0.65) ADORA1ALDH1A1HTTEEDRBBP4
SCHEMBL17798700 0.87 EED (0.49) ADORA1ALDH1A1EEDRBBP4SUZ12
SCHEMBL28457125 0.84 ALDH1A1 (0.49) ADORA1ALDH1A1HTTMEN1KMT2A
SCHEMBL6421704 0.82 ADORA1 (0.48) ADORA1ALDH1A1ESR2SMN1; SMN2MAPT
SCHEMBL29977848 0.80 ADORA1 (0.45) ADORA1ALDH1A1EEDRBBP4SUZ12
SCHEMBL17377231 0.79 ADORA1 (0.48) ADORA1ESR2SMN1; SMN2MAPTNR1H2
SCHEMBL21669702 0.79 ADORA1 (0.46) ADORA1ESR2MAPTNR1H2KDM4E
SCHEMBL27076948 0.78 ADORA1 (0.53) ADORA1EEDRBBP4SUZ12EZH2
SCHEMBL22482028 0.77 ADORA1 (0.56) ADORA1ALDH1A1HTTESR2MEN1
SCHEMBL20558294 0.77 ADORA1 (0.51) ADORA1ALDH1A1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 WO disclosed
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 US disclosed
EP-3830087-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2023-05-24 EP disclosed
EP-3830087-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2023-05-24 EP disclosed
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2022-12-20 US disclosed
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2022-12-20 US disclosed
US-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 US disclosed
US-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 US disclosed
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
WO-2020025587-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 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 (3 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-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections NQO1, ALPI, LCT ADORA1 3150/4885ALDH1A1 224/4885HTT 4378/4885
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT ADORA1 1840/4885ALDH1A1 2633/4885HTT 97/4885
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, ALPI, LCT ADORA1 3150/4885ALDH1A1 224/4885HTT 4378/4885

“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.