SCHEMBL17080491

SCHEMBL17080491

CC(C)(C)[Si](OCC1(COP(=O)(OCC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)OCC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD2 Q9NRG4 3/20 0.36
ABL1 P00519 1/20 0.31
HIF1A Q16665 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
SCHEMBL17080492 0.90 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL4127698 0.83 SMYD2 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL29583645 0.81 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL2912786 0.80 SMYD2 (0.38) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL4121310 0.80 SMYD2 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL20446429 0.80 SMYD2 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL31163018 0.80 SMYD2 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL29598242 0.80 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL2912500 0.79 OPRL1 (0.38) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL22929403 0.78 MAPK1 (0.40) CYP3A4HTTSMN1; SMN2ABL1HIF1A

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
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
EP-3143007-B1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-11 EP disclosed
US-9796686-B2 Antibacterial quinazoline-4(3H)-one derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-24 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 (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-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 CYP3A4 2381/4885HTT 2581/4885SMN1; SMN2 2848/4885

“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.