SCHEMBL4548407

SCHEMBL4548407

COC(=O)CCc1nc(-c2ccc(OCc3ccc(OC)cc3)cn2)no1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ATM Q13315 1/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1568004 0.91 LMNA (0.65) LMNAATMNPC1RAB9ASMN1; SMN2
SCHEMBL4548476 0.90 LMNA (0.52) LMNAATMNPC1RAB9ASMN1; SMN2
SCHEMBL4556040 0.83 HCAR2 (0.61) HCAR2CYP2C9
SCHEMBL4548409 0.81 HCAR2 (0.64) LMNAPOLBALDH1A1MAPTHPGD
SCHEMBL10312533 0.81 MAPT (0.48) LMNAATMSMN1; SMN2HDAC1ALDH1A1
SCHEMBL4548463 0.80 CYP4F2 (0.53) LMNAATMNPC1RAB9ASMN1; SMN2
SCHEMBL4548470 0.80 NPC1 (0.47) LMNAATMNPC1RAB9ASMN1; SMN2
SCHEMBL4548432 0.80 HCAR2 (0.49) LMNAATMNPC1RAB9ASMN1; SMN2
SCHEMBL4548484 0.80 HCAR2 (0.58) LMNAATMHDAC1ALDH1A1HPGD
SCHEMBL13225510 0.78 MAPT (0.46) LMNAATMNPC1RAB9ASMN1; SMN2

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 10 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-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 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-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
WO-2008051403-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-05-02 WO 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-2007092364-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-08-16 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 (5 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-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 LMNA 909/4885ATM 3446/4885NPC1 19/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 LMNA 1044/4885ATM 3790/4885NPC1 13/4885
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 LMNA 909/4885ATM 3446/4885NPC1 19/4885
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 LMNA 851/4885ATM 3417/4885NPC1 20/4885
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 LMNA 925/4885ATM 3416/4885NPC1 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.