SCHEMBL4456699

SCHEMBL4456699

O=c1[nH]c2c([N+](=O)[O-])cccc2c(O)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.62
PARP1 P09874 1/20 0.61
FASN P49327 3/20 0.59
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4454404 0.84 FASN (0.63) FBP1PARP1FASNKMT2AMAPT
SCHEMBL28061677 0.77 MAPT (0.60) FASNMAPTKDM4E
SCHEMBL7242400 0.76 PARP1 (1.00) FBP1PARP1KMT2AMAPTNPC1
SCHEMBL4459240 0.74 FASN (0.74) FASNKMT2AMAPTKDM4E
SCHEMBL4454843 0.74 FASN (0.65) FASNMAPTKDM4E
SCHEMBL4564627 0.74 FASN (0.74) FASNKMT2AMAPTKDM4E
SCHEMBL4456050 0.74 FASN (0.65) FASNMAPTKDM4E
SCHEMBL4455773 0.74 FASN (1.00) FASNMAPTKDM4E
SCHEMBL9387699 0.73 PARP1 (0.61) FBP1PARP1KMT2AMAPTNPC1
SCHEMBL4468057 0.73 FASN (0.95) FASNKDM4E

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 FBP1 176/4885PARP1 683/4885FASN 1/4885

“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.