SCHEMBL13964784

SCHEMBL13964784

C#CC1(NC(=O)c2sccc2OCc2cccc(OC)c2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
SLC6A5 Q9Y345 3/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4101338 0.99 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL13965247 0.87 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL14625102 0.87 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL4101718 0.86 MEN1 (0.52) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL13964901 0.82 GPR132 (0.44) ALDH1A1GAAL3MBTL1LMNACYP1A2
SCHEMBL4106762 0.81 GPR132 (0.45) ALDH1A1GAAL3MBTL1LMNACYP1A2
SCHEMBL13964896 0.81 KMT2A (0.40) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL13964894 0.81 KMT2A (0.51) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL4107830 0.81 KMT2A (0.60) ALDH1A1GAAL3MBTL1POLBLMNA
SCHEMBL4103824 0.81 MEN1 (0.44) ALDH1A1GAAL3MBTL1POLBLMNA

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 1 patent. 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

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 505/4885GAA 1872/4885L3MBTL1 4508/4885

“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.