SCHEMBL279143

SCHEMBL279143

CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)C(COC(=O)c2ccc(F)cc2)Cc2c1[nH]c1ccccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.65
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
ELANE P08246 1/20 0.42
SSTR3 P32745 2/20 0.40
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL274556 0.87 NR1H4 (0.69) NR1H4SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL273514 0.86 NR1H4 (0.67) NR1H4KDM4EALDH1A1ELANEHSD17B10
SCHEMBL275134 0.86 NR1H4 (0.67) NR1H4KDM4EALDH1A1ELANEHSD17B10
SCHEMBL274449 0.86 NR1H4 (0.67) NR1H4KDM4EALDH1A1ELANEHSD17B10
SCHEMBL278968 0.85 NR1H4 (0.69) NR1H4KDM4EPOLBHSD17B10
SCHEMBL274943 0.83 NR1H4 (0.63) NR1H4SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL278969 0.81 NR1H4 (0.58) NR1H4SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL29881127 0.80 NR1H4 (0.70) NR1H4KDM4EELANEPOLBHSD17B10
SCHEMBL273732 0.80 NR1H4 (0.70) NR1H4KDM4EELANEPOLBHSD17B10
SCHEMBL274963 0.80 NR1H4 (0.58) NR1H4SMN1; SMN2KDM4EMAPTMEN1

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 13 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-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
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-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-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-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-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 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 (2 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-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885SMN1; SMN2 2899/4885KDM4E 4561/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885SMN1; SMN2 2596/4885KDM4E 4534/4885

“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.