SCHEMBL4100184

SCHEMBL4100184

C#CC(C)(C)NC(=O)c1sccc1OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 3/20 0.46
ABCB1 P08183 1/20 0.41
CXCR2 P25025 1/20 0.40
INPPL1 O15357 1/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4101815 0.89 MEN1 (0.58) KMT2AMEN1GAAINPPL1ALDH1A1
SCHEMBL13940535 0.82 KMT2A (0.41) KMT2AMEN1GAAINPPL1ALDH1A1
SCHEMBL4100554 0.82 KMT2A (0.56) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL4269317 0.81 NPC1 (0.49) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4100515 0.81 ANO1 (0.35) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL4101322 0.79 KMT2A (0.36) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL4101837 0.79 ALDH1A1 (0.40) KMT2AMEN1GAAINPPL1ALDH1A1
SCHEMBL13965218 0.79 ALDH1A1 (0.51) KMT2AMEN1GAAINPPL1ALDH1A1
SCHEMBL14625112 0.79 ALDH1A1 (0.53) KMT2AMEN1GAAINPPL1ALDH1A1
SCHEMBL4114816 0.78 ALDH1A1 (0.50) KMT2AMEN1GAAINPPL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012127-A1 Thiophene-2-Carboxamide Derivatives as Alpha 7 Nicotinic Receptor Modulators ASTRAZENECA AB (SE) 2009-01-08 US claimed
US-20090012127-A1 Thiophene-2-Carboxamide Derivatives as Alpha 7 Nicotinic Receptor Modulators ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012127-A1 Thiophene-2-Carboxamide Derivatives as Alpha 7 Nicotinic Receptor Modulators ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012127-A1 Thiophene-2-Carboxamide Derivatives as Alpha 7 Nicotinic Receptor Modulators ASTRAZENECA AB (SE) 2009-01-08 US disclosed
EP-1910328-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 WO disclosed
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 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-20090012127-A1 Thiophene-2-Carboxamide Derivatives as Alpha 7 Nicotinic Receptor Modulators CHRNA7, CHRNA1, CHRNA5 KMT2A 1400/4885MEN1 2692/4885GAA 1872/4885

“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.