SCHEMBL4537667

SCHEMBL4537667

OB(O)c1ccccc1-c1cccnc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.39
DHODH Q02127 3/20 0.37
CYP11B2 P19099 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
ENPP2 Q13822 1/20 0.34
MAPT P10636 2/20 0.34
PDE10A Q9Y233 1/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL28165 0.82 NAPRT (0.45) NAPRTKDM4ENPC1ENPP2
SCHEMBL28695697 0.80 DHODH (0.45) NAPRTDHODHCYP11B2NPC1MAPT
Water SCHEMBL29957279 0.80 NAPRT (0.44) NAPRTCYP11B2KDM4EENPP2
Water SCHEMBL343330 0.80 NAPRT (0.44) NAPRTCYP11B2KDM4EENPP2
Water SCHEMBL29956357 0.80 NAPRT (0.44) NAPRTCYP11B2KDM4EENPP2
SCHEMBL910658 0.77 ENPP2 (0.50) ENPP2MAPT
SCHEMBL28857807 0.75 KDM4E (0.45) NAPRTDHODHCYP11B2MAOAMAOB
SCHEMBL29216449 0.74 KDM4E (0.46) KDM4ENPC1MAPT
SCHEMBL28676771 0.74 ENPP2 (0.40) KDM4EENPP2MAPT
SCHEMBL29952228 0.73 KDM4E (0.50) KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 NAPRT 36/4885DHODH 1323/4885CYP11B2 712/4885

“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.