SCHEMBL4455810

SCHEMBL4455810

O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c(O)c1-c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.69
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 1/20 0.45
TYMP P19971 1/20 0.42

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
SCHEMBL4455773 0.81 FASN (1.00) FASN
SCHEMBL4468057 0.80 FASN (0.95) FASN
SCHEMBL4456324 0.79 FASN (0.78) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4459606 0.78 FASN (0.87) FASN
SCHEMBL4465168 0.77 FASN (0.68) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4466077 0.77 FASN (0.78) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8153358 0.77 FASN (0.78) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4466056 0.76 FASN (0.73) FASNGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8146955 0.76 FASN (0.73) FASN
SCHEMBL4459413 0.75 FASN (0.64) FASNGRIN2DGRIN3BGRIN1GRIN2A

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 13 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
EP-0920319-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-05-02 EP disclosed
WO-2001070227-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2001-09-27 WO disclosed
US-6162813-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-19 US disclosed
US-6150522-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-11-21 US disclosed
EP-0918522-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-18 EP disclosed
EP-0920319-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-09 EP disclosed
EP-0918522-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-02 EP disclosed
WO-1997044037-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044041-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 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 1/4885GRIN2D 4366/4885GRIN3B 3099/4885

“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.