SCHEMBL273072

SCHEMBL273072

CCOC(=O)C1=CNCC(C)c2c1[nH]c1cc(-c3cccc(OCC)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.44
FGFR2 P21802 3/20 0.40
FGFR3 P22607 3/20 0.40
FGFR1 P11362 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
MPL P40238 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ICMT O60725 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL274729 0.93 NR1H4 (0.50) NR1H4MAPKAPK2HDAC1HDAC2HDAC8
SCHEMBL274363 0.81 NR1H4 (0.59) NR1H4MAPKAPK2KDM4EMEN1ALDH1A1
SCHEMBL275139 0.75 NR1H4 (0.46) NR1H4KDM4EMEN1ALDH1A1LMNA
SCHEMBL274609 0.75 MPL (0.44) NR1H4MPLKDM4EMEN1ALDH1A1
SCHEMBL274171 0.74 NR1H4 (0.51) NR1H4MAPKAPK2KDM4EMEN1ALDH1A1
SCHEMBL274746 0.72 NR1H4 (0.75) NR1H4
SCHEMBL274617 0.70 NR1H4 (0.51) NR1H4KDM4EMEN1ALDH1A1LMNA
SCHEMBL273587 0.69 PLK4 (0.47) NR1H4KDM4EMEN1ALDH1A1LMNA
SCHEMBL5403423 0.69 NR1H4 (0.49) NR1H4KDM4EMEN1ALDH1A1LMNA
SCHEMBL5394788 0.68 NR1H4 (0.48) NR1H4KDM4EMEN1ALDH1A1LMNA

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 NR1H4 268/4885FGFR2 1635/4885FGFR3 1105/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885FGFR2 1758/4885FGFR3 1358/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885FGFR2 1635/4885FGFR3 1105/4885
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 75/4885FGFR2 2772/4885FGFR3 1516/4885

“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.