SCHEMBL3046353

SCHEMBL3046353

Fc1ccc(C2(Cn3cncn3)COC(CBr)O2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.40
CYP2C9 P11712 9/20 0.40
CYP2C19 P33261 7/20 0.38
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP51A1 Q16850 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 3/20 0.38
ABCB11 O95342 1/20 0.37
CYP17A1 P05093 1/20 0.37
PTGS2 P35354 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CYP8B1 Q9UNU6 1/20 0.37
THRB P10828 1/20 0.36
LRRK2 Q5S007 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL10518765 1.00 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3046354 1.00 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL6152103 1.00 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL10518635 0.93 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13701349 0.90 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13701326 0.90 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13701359 0.90 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13701348 0.90 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13701350 0.90 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL6151963 0.84 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237705-A1 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES PETERSON JOHN R (US) 2013-09-12 US disclosed
US-20130225817-A1 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES PETERSON JOHN R (US) 2013-08-29 US disclosed
US-8431699-B2 Method for manufacture of 2-oxoimidazolidines Vertichem Corporation (CA) 2013-04-30 US disclosed
US-20100222588-A1 Method for Manufacture of 2-Oxoimidazolidines THESIS CHEMISTRY, LLC (US) 2010-09-02 US disclosed
EP-1068200-B1 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2005-02-16 EP disclosed
US-6387906-B1 DERMATOPHYTES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-14 US disclosed
EP-0741737-B1 WATERSOLUBLE AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 1999-11-10 EP disclosed
EP-0278105-B1 2,4,4-TRI- AND 2,2,4,4-TETRA-SUBSTITUTED-1,3-DIOXOLANE SCHERING CORP (US) 1992-05-06 EP disclosed
EP-0329711-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1989-08-30 EP disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 US disclosed
EP-0278105-A1 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane SCHERING CORPORATION (US) 1988-08-17 EP disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 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-20130237705-A1 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES ODC1, NISCH, IMPDH2 CYP3A4 6/4885CYP2C9 36/4885CYP2C19 76/4885
US-20100222588-A1 Method for Manufacture of 2-Oxoimidazolidines ODC1, CBR3, CBR1 CYP3A4 35/4885CYP2C9 81/4885CYP2C19 87/4885
US-20130225817-A1 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES ODC1, NISCH, IMPDH2 CYP3A4 6/4885CYP2C9 36/4885CYP2C19 76/4885

“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.