SCHEMBL4548432

SCHEMBL4548432

COc1ccc(COc2ccc(-c3noc(CC(C)C(=O)O)n3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TPH1 P17752 2/20 0.46
POLB P06746 1/20 0.44
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALKBH1 Q13686 1/20 0.42
MAPT P10636 2/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL4548429 0.89 MAOB (0.46) HCAR2SMN1; SMN2NPC1RAB9ATPH1
SCHEMBL13225536 0.84 PTPN1 (0.43) HCAR2SMN1; SMN2NPC1RAB9ATPH1
SCHEMBL1568004 0.83 LMNA (0.65) SMN1; SMN2NPC1RAB9APOLBFFAR1
SCHEMBL14340940 0.82 TP53 (0.54) HCAR2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14217522 0.82 PPARA (0.48) HCAR2SMN1; SMN2NPC1RAB9ATPH1
SCHEMBL4548463 0.82 CYP4F2 (0.53) HCAR2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4548475 0.81 HCAR2 (0.64) HCAR2
SCHEMBL4548476 0.80 LMNA (0.52) SMN1; SMN2NPC1RAB9APOLBFFAR1
SCHEMBL4548407 0.80 LMNA (0.52) HCAR2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4548431 0.80 HCAR2 (0.64) HCAR2

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-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-07-02 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
WO-2007120575-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-10-25 WO disclosed
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 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 (3 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 HCAR2 7/4885SMN1; SMN2 3471/4885NPC1 13/4885
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885SMN1; SMN2 3840/4885NPC1 19/4885
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885SMN1; SMN2 4003/4885NPC1 20/4885

“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.