SCHEMBL4469573

SCHEMBL4469573

O=c1[nH]c2ccc([N+](=O)[O-])cc2c(O)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 1.00
KDM4E B2RXH2 1/20 0.64
MAPT P10636 3/20 0.63
PARP1 P09874 1/20 0.60
CSF1R P07333 1/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
HCRTR1 O43613 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL31061146 1.00 FASN (1.00) FASNKDM4EMAPTPARP1CSF1R
SCHEMBL8785378 0.90 FASN (0.81) FASNKDM4EMAPTPARP1CSF1R
SCHEMBL4460872 0.84 FASN (0.73) FASNKDM4EMAPTPARP1CSF1R
SCHEMBL32665949 0.83 FASN (0.70) FASNMAPTPARP1CSF1RKMT2A
SCHEMBL27785104 0.82 FASN (0.69) FASNMAPTPARP1CSF1RKMT2A
SCHEMBL27783828 0.82 FASN (0.69) FASNMAPTPARP1CSF1RKMT2A
SCHEMBL27782858 0.82 FASN (0.69) FASNKDM4EMAPTPARP1CSF1R
SCHEMBL29392327 0.80 MAPT (0.68) FASNKDM4EMAPTPARP1CSF1R
SCHEMBL19857710 0.80 MAPT (0.68) FASNKDM4EMAPTPARP1CSF1R
SCHEMBL8895896 0.79 GRIN2D (0.66) FASNMAPTPARP1KMT2AMEN1

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 1/4885KDM4E 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.