SCHEMBL17080504

SCHEMBL17080504

CC(C)(C)[Si](OCC1(C#CBr)COC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.34
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB5 P28074 1/20 0.31

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
SCHEMBL16836756 0.88 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL16569377 0.87 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL16569552 0.86 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL17768505 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL16836761 0.78 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL18748483 0.77 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL4114876 0.76 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20253982 0.75 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL15016366 0.75 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL4120527 0.74 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 US disclosed
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
EP-3114126-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd (CH) 2017-01-11 EP disclosed
WO-2015132228-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-11 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 (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-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 SMYD2 2960/4885CYP3A4 2381/4885HTT 2581/4885
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CCNI, H1-0, H1-3 SMYD2 2960/4885CYP3A4 2381/4885HTT 2581/4885

“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.