SCHEMBL4095096

SCHEMBL4095096

C#CC(C)(C)NC(=O)c1sccc1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ANO1 Q5XXA6 11/20 0.37
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15638718 0.83 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15639618 0.80 MEN1 (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4100554 0.77 KMT2A (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15639175 0.76 METAP1 (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15635238 0.76 GAA (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4101837 0.74 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9010792 0.74 TSHR (0.55) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL4105837 0.73 CNR2 (0.44) ALDH1A1MEN1KMT2AANO1
SCHEMBL4101815 0.73 MEN1 (0.58) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL13940487 0.72 GAA (0.45) KDM4EALDH1A1GLAGAAHPGD

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 6 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 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 KDM4E 1963/4885ALDH1A1 505/4885GLA 1996/4885

“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.