SCHEMBL274661

SCHEMBL274661

CCOC(=O)C1=CN(C(=O)Nc2ccc(Cl)cc2Cl)CCc2c1[nH]c1c(C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 6/20 0.46
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
PTGES O14684 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
TP53 P04637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
GOT1 P17174 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL275123 0.89 NR1H4 (0.59) MEN1KMT2ANR1H4TP53TRPV1
SCHEMBL274145 0.88 NR1H4 (0.51) MEN1KMT2ANR1H4ALDH1A1KDM4E
SCHEMBL273251 0.86 NR1H4 (0.52) MEN1KMT2ANR1H4ALDH1A1KDM4E
SCHEMBL273799 0.85 NR1H4 (0.55) MEN1KMT2ANR1H4ALDH1A1ALOX15
SCHEMBL273591 0.85 NR1H4 (0.55) MEN1KMT2ANR1H4ALDH1A1KDM4E
SCHEMBL275174 0.84 NR1H4 (0.59) NR1H4TP53TRPV1LMNA
SCHEMBL274302 0.84 NR1H4 (0.47) MEN1KMT2ANR1H4ALDH1A1KDM4E
SCHEMBL274898 0.84 NR1H4 (0.47) MEN1KMT2ANR1H4ALDH1A1KDM4E
SCHEMBL274566 0.83 NR1H4 (0.60) MEN1KMT2ANR1H4ALDH1A1KDM4E
SCHEMBL274603 0.82 NR1H4 (0.65) NR1H4ALDH1A1KDM4ENPC1ALOX15

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 11 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
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP 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
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 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 (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 MEN1 2235/4885KMT2A 4638/4885NR1H4 268/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C MEN1 2447/4885KMT2A 4330/4885NR1H4 253/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR MEN1 2235/4885KMT2A 4638/4885NR1H4 268/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR MEN1 4114/4885KMT2A 4077/4885NR1H4 75/4885

“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.