SCHEMBL3587374

SCHEMBL3587374

N#Cc1c(O)nc(S)c2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 10/20 0.40
MAPK1 P28482 3/20 0.40
NSD2 O96028 1/20 0.40
HTT P42858 6/20 0.39
GLA P06280 1/20 0.39
GAA P10253 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 3/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 2/20 0.35

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
SCHEMBL21367479 0.96 KDM4E (0.39) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL29212920 0.81 HTT (0.39) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL23930705 0.79 HTT (0.42) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL30110486 0.79 HTT (0.42) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL29472262 0.74 KDM4E (0.59) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL22289639 0.74 KDM4E (0.59) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL14250219 0.74 HTT (0.67) KDM4EALDH1A1MAPK1HTTGLA
SCHEMBL15893191 0.74 MAPK1 (0.40) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL15694333 0.69 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1NSD2HTT
SCHEMBL15694384 0.68 L3MBTL1 (0.45) KDM4EALDH1A1HTTGLAGAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 US disclosed
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 US disclosed
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-08 US disclosed
US-8318941-B2 Pyridone/hydroxypyridine 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-27 US disclosed
US-8318941-B2 Pyridone/hydroxypyridine 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-27 US disclosed
US-8318941-B2 Pyridone/hydroxypyridine 11-beta hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-27 US disclosed
US-20100009960-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009960-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009960-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
EP-2046753-A2 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-15 EP disclosed
WO-2008005910-A2 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
WO-2008005910-A2 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 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-20100009960-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD3B1 KDM4E 3609/4885ALDH1A1 119/4885MAPK1 862/4885
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD3B1 KDM4E 3449/4885ALDH1A1 145/4885MAPK1 1013/4885

“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.