SCHEMBL2651597

SCHEMBL2651597

O=C(Nc1nccs1)/C(=C/C1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.72
NPC1 O15118 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MGAM O43451 1/20 0.47
POLB P06746 1/20 0.47
SI P14410 1/20 0.47
STAT1 P42224 1/20 0.47
RECQL P46063 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.41

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
SCHEMBL2651600 1.00 GCK (0.72) GCKNPC1LMNAMAPTKDM4E
SCHEMBL2653691 0.86 GCK (0.76) GCKNPC1LMNAKDM4ERAB9A
SCHEMBL2653687 0.86 GCK (0.76) GCKNPC1LMNAKDM4ERAB9A
SCHEMBL2649886 0.85 GCK (0.74) GCKNPC1LMNARAB9ASMN1; SMN2
SCHEMBL9071830 0.85 GCK (0.74) GCKNPC1LMNAKDM4ERAB9A
SCHEMBL2650450 0.85 GCK (0.74) GCKNPC1LMNARAB9AGAA
SCHEMBL3390387 0.85 GCK (0.74) GCKNPC1LMNARAB9ASMN1; SMN2
SCHEMBL2650445 0.85 GCK (0.74) GCKNPC1LMNARAB9AGAA
SCHEMBL2659514 0.85 GCK (0.74) GCKNPC1LMNAKDM4ERAB9A
SCHEMBL2659516 0.85 GCK (0.74) GCKNPC1LMNAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP claimed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US claimed
EP-1594867-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2005-11-16 EP claimed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 US claimed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 WO claimed
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
EP-1594867-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2005-11-16 EP disclosed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 US disclosed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 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 (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-20040181067-A1 Tri(cyclo) substituted amide compounds GPR119, IAPP, SLC5A1 GCK 60/4885NPC1 543/4885LMNA 4157/4885
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 GCK 70/4885NPC1 733/4885LMNA 4250/4885

“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.