SCHEMBL2653181

SCHEMBL2653181

O=C(Nc1ncc(Br)s1)C(=Cc1cccs1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.53
MAPT P10636 10/20 0.46
NPC1 O15118 5/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
THRB P10828 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
SCHEMBL2653177 1.00 GCK (0.53) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2651320 0.88 GCK (0.53) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2651322 0.88 GCK (0.53) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2651637 0.88 GCK (0.60) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2651640 0.88 GCK (0.60) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2650637 0.86 GCK (0.73) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2650639 0.86 GCK (0.73) GCKMAPTNPC1LMNAKDM4E
SCHEMBL2652074 0.84 GCK (0.74) GCKMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL2652071 0.84 GCK (0.74) GCKMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL13460123 0.79 GCK (0.54) GCKMAPTNPC1LMNAKDM4E

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 9 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-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

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 60/4885MAPT 1785/4885NPC1 543/4885
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 GCK 70/4885MAPT 1611/4885NPC1 733/4885

“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.