SCHEMBL4097141

SCHEMBL4097141

C#CC1(NC(=O)c2sccc2OCCC(C)C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.35
INPPL1 O15357 1/20 0.34
CYP1A2 P05177 2/20 0.34
HTT P42858 1/20 0.34
THRB P10828 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4103811 0.88 KMT2A (0.41) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL13964896 0.87 KMT2A (0.40) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL4097043 0.86 KMT2A (0.50) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL13964894 0.85 KMT2A (0.51) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL4112919 0.84 KMT2A (0.36) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL14625098 0.84 KMT2A (0.40) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL4101390 0.82 MEN1 (0.41) KMT2AMEN1POLBALDH1A1INPPL1
SCHEMBL4111419 0.82 KMT2A (0.39) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL4106921 0.81 CNR2 (0.39) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL4101718 0.80 MEN1 (0.52) KMT2AMEN1POLBALDH1A1INPPL1

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
US-20090012127-A1 Thiophene-2-Carboxamide Derivatives as Alpha 7 Nicotinic Receptor Modulators ASTRAZENECA AB (SE) 2009-01-08 US claimed
CN-101213182-A Thiophene-2-carboxamide derivatives as alpha 7 nicotinic receptor modulators ASTRAZENECA (SE) 2008-07-02 CN claimed
EP-1910328-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 WO 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

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 2692/4885POLB 3899/4885

“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.