SCHEMBL21638930

SCHEMBL21638930

Cn1c(C(C#N)O[Si](C)(C)C)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ TERT O14746 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ DAO P14920 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL21807395 0.74 MCL1 (0.47) KMT2ATERTMCL1DAOALDH1A1
SCHEMBL29061991 0.72 KMT2A (0.44) KMT2ATERTMCL1DAOALDH1A1
SCHEMBL3295316 0.71 TRPA1 (0.42) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL2610138 0.71 TRPA1 (0.42) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL2610142 0.70 UGT2B7 (0.43) KMT2AMEN1ADRA2ATSHR
SCHEMBL9565143 0.70 KMT2A (0.52) KMT2ATERTMCL1DAOALDH1A1
SCHEMBL9887744 0.69 KMT2A (0.55) KMT2ATERTMCL1DAOALDH1A1
SCHEMBL10978547 0.69 CYP2A6 (0.45) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL12260539 0.68 KMT2A (0.53) KMT2ATERTMCL1DAOALDH1A1
SCHEMBL13354733 0.67 KMT2A (0.49) KMT2ATERTMCL1DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 — — US disclosed
EP-3830087-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2021-06-09 — — EP disclosed
WO-2020025587-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 — — WO disclosed
WO-2020025587-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 — — WO disclosed
EP-3604309-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2020-02-05 — — EP disclosed
EP-3604309-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2020-02-05 — — 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 (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-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections NQO1, ALPI, LCT KMT2A 2727/4885TERT 1383/4885MCL1 497/4885
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, ALPI, LCT KMT2A 2727/4885TERT 1383/4885MCL1 497/4885

“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.

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