SCHEMBL2992084

SCHEMBL2992084

CCOC(=O)c1cc([N+](=O)[O-])cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 6/20 0.49
PRKCZ Q05513 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
USP10 Q14694 1/20 0.43
CACNA1F O60840 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
AR P10275 2/20 0.43
LMNA P02545 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 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
SCHEMBL1844829 0.82 MIF (0.43) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL11213610 0.79 KMT2A (0.49) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL14269795 0.79 MIF (0.40) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6826976 0.76 DAO (0.57) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL2789975 0.76 MAPT (0.48) RAB9AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL18430372 0.76 MIF (0.40) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL6030268 0.75 CA12 (0.52) NPC1RAB9AMAPTALDH1A1MAPK1
SCHEMBL160967 0.75 CA12 (0.43) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL13469125 0.75 MAPT (0.47) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL9372373 0.75 CA12 (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP disclosed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO disclosed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 NPC1 2304/4885RAB9A 2417/4885GAA 2958/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 NPC1 880/4885RAB9A 2324/4885GAA 502/4885
US-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT NPC1 1085/4885RAB9A 1953/4885GAA 1769/4885

“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.