SCHEMBL841729

SCHEMBL841729

CN1C(=O)C(C)(C)C(O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HCRTR1 O43613 1/20 0.38
RAD52 P43351 1/20 0.38
HSD11B1 P28845 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL3394177 0.73 HSD11B1 (0.39) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL17974970 0.72 MEN1 (0.49) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL10693130 0.71 ALDH1A1 (0.43) MAPTKDM4EHTTALDH1A1RAD52
SCHEMBL20094217 0.71 HDAC4 (0.55) LMNAHDAC4HDAC7HDAC5MEN1
SCHEMBL2396078 0.70 EGFR (0.39) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL842320 0.69 CYP19A1 (0.42) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL16102916 0.69 EPHX2 (0.46) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9591238 0.69 LMNA (0.50) MAPTLMNAKDM4EHTTALDH1A1
SCHEMBL842744 0.68 HDAC4 (0.35) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL1098201 0.67 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1

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-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 MAPT 978/4885LMNA 3525/4885KDM4E 2534/4885

“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.