SCHEMBL4101837

SCHEMBL4101837

C#CC(C)(C)NC(=O)c1sccc1OCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 7/20 0.40
GAA P10253 6/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 6/20 0.39
CYP1A2 P05177 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
INPPL1 O15357 1/20 0.34

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
SCHEMBL4100554 0.86 KMT2A (0.56) ALDH1A1KMT2AGAAKDM4EGLA
SCHEMBL4101815 0.81 MEN1 (0.58) ALDH1A1KMT2AGAAKDM4EHPGD
SCHEMBL4105837 0.81 CNR2 (0.44) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL4114296 0.79 KMT2A (0.40) ALDH1A1KMT2AGAAKDM4EGLA
SCHEMBL4100184 0.79 KMT2A (0.46) ALDH1A1KMT2AGAAKDM4EGLA
SCHEMBL13940535 0.79 KMT2A (0.41) ALDH1A1KMT2AGAAKDM4EGLA
SCHEMBL4114816 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AGAAKDM4EHPGD
SCHEMBL4113115 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AGAAMEN1L3MBTL1
SCHEMBL4105157 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AGAAHPGDMAPK1
SCHEMBL4105607 0.78 NPC1 (0.45) ALDH1A1KMT2AGAAKDM4EHPGD

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
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
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 ALDH1A1 505/4885KMT2A 1400/4885GAA 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.