SCHEMBL273595

SCHEMBL273595

CCCOC(=O)C1=CNC(C)Cc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.52
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44

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
SCHEMBL273651 0.91 NR1H4 (0.51) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL272932 0.88 NR1H4 (0.52) NR1H4KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL273508 0.86 NR1H4 (0.49) NR1H4KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL274161 0.80 NR1H4 (0.59) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL273593 0.79 NR1H4 (0.50) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL273092 0.78 KDM4E (0.62) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL273946 0.78 NR1H4 (0.49) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL273340 0.78 KDM4E (0.54) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL4441689 0.78 NR1H4 (0.49) NR1H4KDM4EHSD17B10MEN1KMT2A
SCHEMBL274436 0.74 KDM4E (0.50) NR1H4KDM4EHSD17B10MEN1KMT2A

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-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO 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 268/4885KDM4E 4534/4885HSD17B10 2862/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885KDM4E 4561/4885HSD17B10 2865/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885KDM4E 4534/4885HSD17B10 2862/4885
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 75/4885KDM4E 4581/4885HSD17B10 1878/4885

“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.