SCHEMBL4454843

SCHEMBL4454843

O=c1[nH]c2c(Cl)cc([N+](=O)[O-])cc2c(O)c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.65
KDM4E B2RXH2 1/20 0.50
MAPT P10636 2/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
HCRTR1 O43613 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4456050 0.85 FASN (0.65) FASNKDM4EMAPT
SCHEMBL4455285 0.82 FASN (0.61) FASNKDM4EMAPT
SCHEMBL31061146 0.79 FASN (1.00) FASNKDM4EMAPTHCRTR1PKM
SCHEMBL4469573 0.79 FASN (1.00) FASNKDM4EMAPTHCRTR1PKM
SCHEMBL4454404 0.78 FASN (0.63) FASNKDM4EMAPT
SCHEMBL13936059 0.77 FASN (1.00) FASNKDM4EMAPT
SCHEMBL8785378 0.76 FASN (0.81) FASNKDM4EMAPTGRIN2DGRIN3B
SCHEMBL4455773 0.76 FASN (1.00) FASNKDM4EMAPT
SCHEMBL4454396 0.76 FASN (0.65) FASNKDM4EMAPTGRIN2DGRIN3B
SCHEMBL14449852 0.75 FASN (0.74) FASNKDM4EMAPT

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-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

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 1/4885KDM4E 1768/4885MAPT 4736/4885

“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.