SCHEMBL4556024

SCHEMBL4556024

CCCOC(=O)CC(C)c1nc(-c2ccc(O)cn2)no1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.55
ACACB O00763 2/20 0.42
CYP2C9 P11712 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10312541 0.89 HCAR2 (0.44) HCAR2ACACBPPARDPPARATSHR
SCHEMBL17253042 0.75 HTT (0.60) HCAR2CYP2C9ALDH1A1TSHRHTT
SCHEMBL10312539 0.71 HCAR2 (0.51) HCAR2ALDH1A1TSHRHTT
SCHEMBL4548426 0.71 HCAR2 (0.84) HCAR2CYP2C9
SCHEMBL4548425 0.71 HCAR2 (0.49) HCAR2PPARDPPARA
SCHEMBL4548333 0.71 HCAR2 (1.00) HCAR2CYP2C9
SCHEMBL4554984 0.70 HCAR2 (0.57) HCAR2CYP2C9
SCHEMBL4555523 0.70 HCAR2 (0.76) HCAR2CYP2C9
SCHEMBL4548475 0.67 HCAR2 (0.64) HCAR2CYP2C9
SCHEMBL8796161 0.67 HTT (0.44) HCAR2ACACBPPARDPPARAALDH1A1

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-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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US 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 HCAR2 2/4885ACACB 881/4885CYP2C9 1081/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885ACACB 934/4885CYP2C9 1108/4885

“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.