SCHEMBL5012732

SCHEMBL5012732

CN(C)C(=O)c1ccc(-c2ccc(Br)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.50
PRF1 P14222 1/20 0.48
SNCA P37840 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
RORC P51449 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
ERN1 O75460 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ATR Q13535 1/20 0.40
MAPT P10636 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
SCHEMBL2251594 0.79 HDAC1 (0.54) HDAC6SNCANQO2MEN1TP53
SCHEMBL2019176 0.78 PRF1 (0.58) HDAC6PRF1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10331340 0.78 PRF1 (0.46) HDAC6PRF1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5420514 0.78 RAB9A (0.58) HDAC6PRF1ALDH1A1HPGDMAPK13
SCHEMBL2357473 0.77 PRF1 (0.49) PRF1SNCAALDH1A1SMN1; SMN2MAPT
Lithium Ion SCHEMBL5420511 0.76 HSD17B1 (0.48) HDAC6PRF1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14189571 0.75 HSD17B1 (0.50) SNCAALDH1A1SMN1; SMN2HSD17B1HSD17B2
SCHEMBL10626283 0.75 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2PDK2ERN1
SCHEMBL2778388 0.75 SNCA (0.61) SNCAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6606973 0.74 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2ERN1MAPT

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-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1699801-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061510-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 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 (2 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-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 HDAC6 1738/4885PRF1 4755/4885SNCA 1622/4885
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 HDAC6 1608/4885PRF1 4791/4885SNCA 1533/4885

“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.