SCHEMBL4456050

SCHEMBL4456050

Cc1cc([N+](=O)[O-])cc2c(O)c(-c3ccccc3)c(=O)[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.65
MAPT P10636 2/20 0.47
CSF1R P07333 1/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4454843 0.85 FASN (0.65) FASNMAPTKDM4E
SCHEMBL4455285 0.85 FASN (0.61) FASNMAPTCSF1RKDM4E
SCHEMBL14449854 0.80 MAPT (0.51) FASNMAPTKDM4E
SCHEMBL31061146 0.79 FASN (1.00) FASNMAPTCSF1RKDM4E
SCHEMBL4469573 0.79 FASN (1.00) FASNMAPTCSF1RKDM4E
SCHEMBL4454404 0.78 FASN (0.63) FASNMAPTKDM4E
SCHEMBL4458789 0.77 FASN (0.74) FASNMAPTCSF1RKDM4E
SCHEMBL8785378 0.76 FASN (0.81) FASNMAPTCSF1RKDM4E
SCHEMBL4459240 0.76 FASN (0.74) FASNMAPTKDM4E
SCHEMBL4454396 0.76 FASN (0.65) FASNMAPTCSF1RKDM4E

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 1/4885MAPT 4736/4885CSF1R 1494/4885

“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.