SCHEMBL275757

SCHEMBL275757

CCOC(=O)C1=CN(C(=O)c2cccnc2Sc2ccccc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.61
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL276144 0.95 NR1H4 (0.59) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL274818 0.94 NR1H4 (0.57) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL276119 0.89 NR1H4 (0.61) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL275019 0.86 NR1H4 (0.65) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL275191 0.85 NR1H4 (0.61) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL275126 0.83 NR1H4 (0.73) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL275544 0.82 NR1H4 (0.60) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL272968 0.81 NR1H4 (0.70) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL275034 0.81 NR1H4 (0.76) NR1H4ALDH1A1KDM4ELMNACYP3A4
SCHEMBL275584 0.81 NR1H4 (0.70) NR1H4ALDH1A1KDM4ELMNACYP3A4

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 268/4885ALDH1A1 1722/4885KDM4E 4534/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885ALDH1A1 1321/4885KDM4E 4561/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885ALDH1A1 1722/4885KDM4E 4534/4885
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 75/4885ALDH1A1 3963/4885KDM4E 4581/4885

“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.