SCHEMBL3885683

SCHEMBL3885683

O=[N+]([O-])c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
KCNH2 Q12809 2/20 0.46
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSPB1 P04792 1/20 0.45
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7687404 0.86 CFTR (0.47) CFTRKCNH2PTGS2LMNAHTT
SCHEMBL745595 0.83 HSPB1 (0.50) KCNH2PTGS2LMNAHSPB1MAOB
SCHEMBL10353207 0.82 MAPT (0.53) CFTRKCNH2PTGS2LMNAKMT2A
SCHEMBL7678317 0.80 KMT2A (0.43) CFTRLMNAHTTKMT2ASMN1; SMN2
SCHEMBL2561971 0.80 LMNA (0.47) KCNH2PTGS2LMNAHSPB1MAOB
SCHEMBL17562364 0.80 PTGS2 (0.51) KCNH2PTGS2LMNAHSPB1MAOB
SCHEMBL4743797 0.79 LMNA (0.53) KCNH2PTGS2LMNAHSPB1MAOB
SCHEMBL3894432 0.79 MAPT (0.51) CFTRLMNAKMT2AHSPB1ALDH1A1
SCHEMBL5668218 0.78 LMNA (0.43) KCNH2PTGS2LMNAHSPB1MAOB
SCHEMBL31177588 0.77 PTGS2 (0.49) KCNH2PTGS2LMNAHSPB1MAOB

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
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed
WO-1998039305-A1 CRYSTALLINE FORM OF A BIS 1,2,4-TRIAZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 CFTR 1595/4885KCNH2 653/4885PTGS2 1092/4885

“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.