SCHEMBL4454396

SCHEMBL4454396

O=c1[nH]c2ncc([N+](=O)[O-])cc2c(O)c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.65
GRIN2D O15399 4/20 0.53
GRIN3B O60391 4/20 0.53
GRIN1 Q05586 4/20 0.53
GRIN2A Q12879 4/20 0.53
GRIN2B Q13224 4/20 0.53
GRIN2C Q14957 4/20 0.53
GRIN3A Q8TCU5 4/20 0.53
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.44
CSF1R P07333 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL8692310 0.80 GRIN2D (0.77) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4469573 0.79 FASN (1.00) FASNMAPTKDM4ECSF1RMEN1
SCHEMBL31061146 0.79 FASN (1.00) FASNMAPTKDM4ECSF1RMEN1
SCHEMBL8785378 0.76 FASN (0.81) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4456050 0.76 FASN (0.65) FASNMAPTKDM4ECSF1R
SCHEMBL4454843 0.76 FASN (0.65) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8692300 0.73 GRIN2D (0.73) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4455285 0.73 FASN (0.61) FASNMAPTKDM4ECSF1R
SCHEMBL3961855 0.72 ALDH1A1 (0.51) MAPTKDM4EMEN1KMT2A
SCHEMBL15999446 0.71 GABRA1 (0.55) MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
EP-1981341-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) Merck and Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 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-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) FASN, FADS2, FADS1 FASN 1/4885GRIN2D 4366/4885GRIN3B 3099/4885

“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.