SCHEMBL4548415

SCHEMBL4548415

COC(=O)C(Cc1cnn(-c2ccc([N+](=O)[O-])cn2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
CYP2C19 P33261 2/20 0.40
MAPT P10636 6/20 0.38
ALDH1A1 P00352 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 4/20 0.37
NPC1 O15118 4/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 3/20 0.37
PANK3 Q9H999 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4548416 0.96 CYP2C19 (0.42) HCAR2CYP2C19MAPTALDH1A1L3MBTL1
SCHEMBL10312536 0.89 HCAR2 (0.45) HCAR2CYP2C19MAPTALDH1A1NPBWR1
SCHEMBL4548414 0.80 CYP2C19 (0.43) HCAR2CYP2C19MAPTALDH1A1NPBWR1
SCHEMBL4548417 0.75 MAPT (0.48) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL4548418 0.70 MAPT (0.51) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL2234342 0.70 PTPRB (0.52) MAPTALDH1A1NPC1KMT2ARAB9A
SCHEMBL11901316 0.68 MAPT (0.51) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL7503286 0.67 CYP2C19 (0.51) CYP2C19MAPTALDH1A1NPC1KMT2A
SCHEMBL6311420 0.67 MEN1 (0.47) MAPTALDH1A1NPC1KMT2ARAB9A
SCHEMBL1403468 0.65 CYP2C19 (0.55) CYP2C19MAPTALDH1A1NPC1KMT2A

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 2 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

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 2/4885CYP2C19 618/4885MAPT 2721/4885

“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.