SCHEMBL4548409

SCHEMBL4548409

COC(=O)C1=C(NC(=O)CCc2nc(-c3ccc(OCc4ccc(OC)cc4)cn3)no2)CCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.64
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL4548408 0.88 HCAR2 (0.81) HCAR2CYP2C9
SCHEMBL4548464 0.85 HCAR2 (0.66) HCAR2CYP2C9ALDH1A1
SCHEMBL4548428 0.84 HCAR2 (0.66) HCAR2CYP2C9ALDH1A1MAPTHPGD
SCHEMBL4548407 0.81 LMNA (0.52) HCAR2CYP2C9MEN1KMT2AUSP2
SCHEMBL4548431 0.81 HCAR2 (0.64) HCAR2CYP2C9
SCHEMBL1568004 0.80 LMNA (0.65) ALDH1A1MAPTHPGDPOLBLMNA
SCHEMBL4548476 0.80 LMNA (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4548326 0.78 HCAR2 (1.00) HCAR2CYP2C9
SCHEMBL1567679 0.77 HCAR2 (0.61) HCAR2CYP2C9MEN1KMT2AUSP2
SCHEMBL13933856 0.76 HCAR2 (0.49) HCAR2CYP2C9MAPTTSHR

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 3 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
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 (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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885CYP2C9 1081/4885MEN1 1955/4885

“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.