SCHEMBL8294487

SCHEMBL8294487

CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
MLNR O43193 1/20 0.61
NR1I2 O75469 1/20 0.61
USP2 O75604 1/20 0.61
ESR1 P03372 1/20 0.61
NR3C1 P04150 1/20 0.61
TP53 P04637 1/20 0.61
PGR P06401 1/20 0.61
ADRB2 P07550 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP3A4 P08684 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
GABRA1 P14867 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
ADRA2B P18089 1/20 0.61

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
SCHEMBL987184 0.84 AGTR1 (0.72) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL1639019 0.81 NAE1 (0.78) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL1020471 0.79 NAE1 (0.74) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL30007290 0.79 NAE1 (0.74) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL21116097 0.78 NAE1 (0.74) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL24819609 0.77 AGTR1 (0.72) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL469652 0.77 NAE1 (0.76) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL21302261 0.77 NAE1 (0.75) KDM4EMEN1MLNRNR1I2USP2
SCHEMBL7015894 0.77 PPARG (0.75) KDM4EMEN1MLNRNR1I2USP2
Candesartan Cilexetil SCHEMBL40831 0.77 NAE1 (0.79) KDM4EMEN1MLNRNR1I2USP2

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-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US disclosed
US-7872035-B2 Angiotensin II antagonists ASTRAZENECA AB (SE) 2011-01-18 US disclosed
EP-1646636-B1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2009-12-02 EP disclosed
EP-2116548-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2009-11-11 EP disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
WO-2005014602-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2005-02-17 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 (3 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 KDM4E 3479/4885MEN1 484/4885MLNR 589/4885
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 KDM4E 3479/4885MEN1 484/4885MLNR 589/4885
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 KDM4E 3479/4885MEN1 484/4885MLNR 589/4885

“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.