SCHEMBL275709

SCHEMBL275709

CCOC(=O)C1=CN(C(=O)NCc2ccc(Cl)cc2Cl)CCc2c1[nH]c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.57
ALOX15 P16050 2/20 0.44
EPHX2 P34913 5/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2J2 P51589 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.42
AURKA O14965 1/20 0.41
MAPK10 P53779 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL274020 0.92 NR1H4 (0.60) NR1H4ALOX15LMNATP53AURKA
SCHEMBL5732877 0.88 EPHX2 (0.46) EPHX2CYP2C9CYP2J2LMNAMAPT
SCHEMBL275123 0.87 NR1H4 (0.59) NR1H4TP53AURKAMAPK10RIPK1
SCHEMBL273996 0.87 NR1H4 (0.59) NR1H4AURKAMAPK10RIPK1
SCHEMBL275289 0.86 NR1H4 (0.62) NR1H4ALOX15MAPTAURKAMAPK10
SCHEMBL274093 0.85 NR1H4 (0.65) NR1H4LMNAMAPTAURKAMAPK10
SCHEMBL273048 0.84 NR1H4 (0.66) NR1H4TP53AURKAMAPK10RIPK1
SCHEMBL274440 0.84 NR1H4 (0.63) NR1H4AURKAMAPK10RIPK1
SCHEMBL273792 0.83 NR1H4 (0.65) NR1H4AURKAMAPK10RIPK1
SCHEMBL275174 0.83 NR1H4 (0.59) NR1H4LMNATP53AURKAMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 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 (4 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885ALOX15 605/4885EPHX2 1663/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885ALOX15 742/4885EPHX2 2307/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885ALOX15 605/4885EPHX2 1663/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR NR1H4 75/4885ALOX15 3236/4885EPHX2 3876/4885

“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.