SCHEMBL3574828

SCHEMBL3574828

O=C(Cc1ccc(Cl)cc1)N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
MIF P14174 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
PIK3CA P42336 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR2 P34972 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MET P08581 1/20 0.40
POLB P06746 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
SCHEMBL5825140 0.81 CES2 (0.39) CTBP2MIFALDH1A1
SCHEMBL105873 0.81 MIF (0.48) CTBP2MIFRAB9ALMNAKMT2A
SCHEMBL16280718 0.81 CTBP2 (0.47) CTBP2NPC1RAB9AL3MBTL1LMNA
SCHEMBL371856 0.81 CES1 (0.50) CTBP2MIFL3MBTL1LMNAMEN1
SCHEMBL13167103 0.79 FFAR1 (0.36) CTBP2MEN1KMT2AALDH1A1POLB
SCHEMBL1132286 0.77 MIF (0.50) MIFPIK3CACNR2
SCHEMBL13741321 0.76 CTBP2 (0.53) CTBP2NPC1RAB9AL3MBTL1LMNA
Acetonitrile SCHEMBL4322763 0.75 MIF (0.42) CTBP2MIFNPC1RAB9ALMNA
SCHEMBL16896941 0.75 TSHR (0.46) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL3561938 0.73 KMT2A (0.57) LMNAMAPTMEN1KMT2ACYP3A4

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 14 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
CN-101998951-B Acylthiourea compounds or salts thereof and use thereof TAIHO PHARMACEUTICAL CO LTD 2013-07-17 CN 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
CN-101998951-A Acylthiourea compounds or salts thereof and use thereof TAIHO PHARMACEUTICAL CO LTD 2011-03-30 CN 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 CTBP2 4548/4885MIF 4152/4885NPC1 1525/4885
US-20140128365-A1 PYRIDONE/HYDROXYPYRIDINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD3B1 CTBP2 4386/4885MIF 4114/4885NPC1 1518/4885

“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.