SCHEMBL4548476

SCHEMBL4548476

COc1ccc(COc2ccc(-c3noc(CCC(N)=O)n3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
FFAR1 O14842 3/20 0.46
TP53 P04637 1/20 0.46
KLF5 Q13887 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL1568004 0.91 LMNA (0.65) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL4548407 0.90 LMNA (0.52) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL4548470 0.84 NPC1 (0.47) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL4548463 0.80 CYP4F2 (0.53) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL4548432 0.80 HCAR2 (0.49) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL5717772 0.80 LMNA (0.79) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL4556041 0.80 HCAR2 (0.61) ATMRAB9ASMN1; SMN2TP53KLF5
SCHEMBL4548409 0.80 HCAR2 (0.64) LMNAALDH1A1HPGDMAPTMEN1
SCHEMBL13920697 0.79 TP53 (0.53) LMNAATMRAB9ASMN1; SMN2NPC1
SCHEMBL10312563 0.79 TP53 (0.54) LMNAATMRAB9ASMN1; SMN2TP53

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 LMNA 851/4885ATM 3417/4885RAB9A 2584/4885

“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.