SCHEMBL3885645

SCHEMBL3885645

Nc1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 8/20 0.46
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP3A4 P08684 1/20 0.38
APP P05067 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7687627 0.83 HTT (0.39) HTTSMN1; SMN2KMT2AMAOBTSHR
SCHEMBL507033 0.81 MAOB (0.50) HTTSMN1; SMN2KMT2AMAOBTSHR
SCHEMBL5384421 0.81 HTT (0.50) HTTSMN1; SMN2KMT2ATSHRTDP1
SCHEMBL6944585 0.81 HTT (0.47) HTTSMN1; SMN2KMT2ATSHRTDP1
SCHEMBL1710061 0.81 KMT2A (0.51) HTTSMN1; SMN2KMT2ATSHRMAPT
SCHEMBL7769868 0.81 HTT (0.47) HTTSMN1; SMN2KMT2AMAOBTSHR
SCHEMBL7684463 0.80 CFTR (0.47) HTTSMN1; SMN2KMT2ATSHRMAPT
SCHEMBL9682 0.79 MAPT (0.63) SMN1; SMN2KMT2AMAOBTSHRTDP1
SCHEMBL28749827 0.79 HTT (0.43) HTTSMN1; SMN2KMT2ATSHRMAPT
SCHEMBL29706051 0.79 HTT (0.43) HTTSMN1; SMN2KMT2ATSHRMAPT

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 22 patents — showing the first 20. 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
EP-1284267-B1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE SANKYO CO (JP) 2004-12-15 EP disclosed
EP-0866793-B1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORP (US) 2004-10-27 EP disclosed
US-6653330-B2 Such as 4'-chloro-4-(5-(3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4 -triazol-1-y)butyl)-1,3-dioxan-2-yl)-benzanilide; antifungal activity SANKYO COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20030176480-A1 For therapy and prophylaxis of fungal infections SANKYO COMPANY, LIMITED (JP) 2003-09-18 US disclosed
EP-1284267-A1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE Sankyo Company, Limited (JP) 2003-02-19 EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 EP disclosed
US-5814324-A OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
US-5792780-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0657449-B1 Azole compounds, their production and use as antifungal agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-04-08 EP disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO disclosed
EP-0746318-A1 INJECTABLE EMULSIONS CONTAINING ANTIFUNGAL TRIAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1996-12-11 EP disclosed
US-5545652-A Triazole and imidazole compounds and their use as antifungal therapeutic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
WO-1995022973-A1 INJECTABLE EMULSIONS CONTAINING ANTIFUNGAL TRIAZOLE DERIVATIVES TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 1995-08-31 WO disclosed
EP-0659751-A1 Optically active azole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-28 EP disclosed
EP-0657449-A1 Azole compounds, their production and use as antifungal agents Takeda Chemical Industries, Ltd. (JP) 1995-06-14 EP 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 HTT 3105/4885SMN1; SMN2 3501/4885KMT2A 603/4885
US-20030176480-A1 For therapy and prophylaxis of fungal infections NAT1, ERG28, DPM1 HTT 4756/4885SMN1; SMN2 3704/4885KMT2A 1379/4885

“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.