SCHEMBL4460872

SCHEMBL4460872

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.73
PARP1 P09874 2/20 0.60
MAPT P10636 2/20 0.60
CSF1R P07333 2/20 0.59
HCRTR1 O43613 1/20 0.58
PKM P14618 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50

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
SCHEMBL27782858 0.90 FASN (0.69) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL4469573 0.84 FASN (1.00) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL31061146 0.84 FASN (1.00) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL32665949 0.83 FASN (0.70) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL27783828 0.82 FASN (0.69) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL27785104 0.82 FASN (0.69) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL29392327 0.78 MAPT (0.68) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL19857710 0.78 MAPT (0.68) FASNPARP1MAPTCSF1RHCRTR1
SCHEMBL1239816 0.77 MAPT (0.65) PARP1MAPTCSF1RHCRTR1PKM
SCHEMBL8785378 0.76 FASN (0.81) FASNPARP1MAPTCSF1RKMT2A

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 4 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
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 1/4885PARP1 683/4885MAPT 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.