SCHEMBL17080599

SCHEMBL17080599

CC(C)(C)[Si](OCC12CC(C=C(Br)Br)(C1)C2)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 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
SCHEMBL16837066 0.84 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4125337 0.82 ABL1 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL16836641 0.80 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL17768518 0.80 ABL1 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL27039618 0.78 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL26361775 0.77 CYP4F2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL22070652 0.76 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL16836761 0.75 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL13328649 0.75 SMN1; SMN2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL2908644 0.75 SMN1; SMN2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2ABL1

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 13 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
EP-3143007-B1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-11 EP disclosed
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 EP disclosed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 US 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
US-20170081292-A1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-03-23 US disclosed
EP-3143007-A1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-03-22 EP 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
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 US disclosed
WO-2015173329-A1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-11-19 WO 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 (4 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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 SMYD2 1189/4885CYP3A4 367/4885HTT 2794/4885
US-20170081292-A1 ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES MRPL21, PYM1, MDK SMYD2 346/4885CYP3A4 591/4885HTT 1854/4885
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.