SCHEMBL3443239

SCHEMBL3443239

O=C(O)c1cnc(NCCc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
STAT6 P42226 5/20 0.53
CASR P41180 3/20 0.52
KDM4E B2RXH2 3/20 0.51
ASPH Q12797 3/20 0.51
KDM8 Q8N371 3/20 0.51
RIOX2 Q8IUF8 2/20 0.51
KDM6B O15054 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
HDAC8 Q9BY41 1/20 0.46
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
ATM Q13315 1/20 0.44
THRB P10828 1/20 0.44
ADORA1 P30542 1/20 0.44
HIF1A Q16665 1/20 0.43

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
SCHEMBL3442955 0.88 ATM (0.57) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL3443768 0.85 ALDH1A1 (0.62) STAT6CASRKDM4EATMTHRB
SCHEMBL3443139 0.84 STAT6 (0.50) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL3442807 0.84 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL3443622 0.84 STAT6 (0.48) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL3443114 0.84 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL11084759 0.84 STAT6 (0.58) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL32671629 0.83 RAB9A (0.58) HDAC3HDAC1HDAC2HDAC6STAT6
SCHEMBL6016301 0.82 MEN1 (0.46) KDM4EATMADORA1
SCHEMBL3443209 0.81 CASR (0.55) HDAC3HDAC1HDAC2HDAC6STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US claimed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed
JP-2007522197-A 2007-08-09 JP claimed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US claimed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP claimed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 WO claimed
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP disclosed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 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-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HDAC3 2223/4885HDAC1 2245/4885HDAC2 1269/4885

“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.