SCHEMBL8618928

SCHEMBL8618928

CC(C)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
XDH P47989 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MGAM O43451 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
SCHEMBL9441415 0.87 POLB (0.52) CA12CA9POLBMEN1KMT2A
SCHEMBL8565886 0.87 CA12 (0.52) CA12CA9POLBMEN1KMT2A
SCHEMBL8382142 0.80 CA12 (0.55) CA12CA9POLBMEN1KMT2A
SCHEMBL266607 0.79 CA12 (0.57) CA12CA9POLBMEN1KMT2A
SCHEMBL2392090 0.78 ALOX5 (0.65) CA12CA9POLBMEN1KMT2A
SCHEMBL28399285 0.77 MAOB (0.56) CA12CA9POLBMEN1KMT2A
SCHEMBL10363846 0.76 MEN1 (0.60) CA12CA9POLBMEN1KMT2A
SCHEMBL10362741 0.76 MEN1 (0.75) CA12CA9POLBMEN1KMT2A
SCHEMBL18936062 0.76 MAOB (0.55) CA12CA9POLBMEN1KMT2A
SCHEMBL5177829 0.76 CA12 (0.57) CA12CA9POLBMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 US disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 EP disclosed
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 WO disclosed
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CA12 1857/4885CA9 1761/4885POLB 4123/4885

“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.