SCHEMBL4548447

SCHEMBL4548447

O=C(Cl)CCc1ncn(-c2ccc(O)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MIF P14174 4/20 0.35
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NOTUM Q6P988 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MET P08581 1/20 0.30
ME2 P23368 1/20 0.30
ME1 P48163 1/20 0.30
ME3 Q16798 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4548454 0.87 MAPT (0.39) MAPTMIFFEN1KDM4EALDH1A1
SCHEMBL27602998 0.74 MAPT (0.42) MAPTMIFFEN1KDM4EESR1
SCHEMBL15754790 0.73 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1NOTUMNPC1
SCHEMBL4548446 0.70 FFAR1 (0.48) MAPTKDM4EALDH1A1GAAPKM
SCHEMBL11605238 0.69 RXRA (0.44) NOTUM
SCHEMBL11605245 0.68 RXRA (0.50) KDM4EALDH1A1NOTUMPKMKMT2A
SCHEMBL19042100 0.66 ITGB1 (0.45) MAPTKDM4EKMT2A
SCHEMBL2773933 0.66 ESR1 (0.56) MAPTKDM4EALDH1A1ESR1ESR2
SCHEMBL719104 0.65 MAPT (0.46) MAPTMIFESR1ESR2
SCHEMBL19402280 0.65 NOTUM (0.47) MAPTKDM4EALDH1A1NOTUMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
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-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-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 (2 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 MAPT 2721/4885MIF 4741/4885FEN1 3557/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 MAPT 2701/4885MIF 4729/4885FEN1 3598/4885

“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.