SCHEMBL2614719

SCHEMBL2614719

O=[N+]([O-])c1ccccc1Sc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
IDO1 P14902 1/20 0.55
PDE7B Q9NP56 2/20 0.50
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
PKM P14618 1/20 0.42
KDM4A O75164 1/20 0.42

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
SCHEMBL1713219 0.85 PDE7A (0.65) PDE7ASMN1; SMN2PDE7BALDH1A1SLC6A2
SCHEMBL30338244 0.85 PDE7A (0.65) PDE7ASMN1; SMN2PDE7BALDH1A1SLC6A2
SCHEMBL10923003 0.83 PDE7A (0.65) PDE7ASMN1; SMN2PDE7BALDH1A1SLC6A2
SCHEMBL9186731 0.83 PDE7A (0.56) PDE7ASMN1; SMN2PDE7BALDH1A1L3MBTL1
SCHEMBL8881808 0.83 MAPT (0.58) PDE7ASMN1; SMN2IDO1PDE7BALDH1A1
SCHEMBL7665295 0.83 PDE7A (0.67) PDE7ASMN1; SMN2IDO1PDE7BL3MBTL1
SCHEMBL11760310 0.83 PDE7A (0.56) PDE7ASMN1; SMN2PDE7BALDH1A1SLC6A2
SCHEMBL875772 0.81 PDE7A (0.78) PDE7ASMN1; SMN2PDE7BALDH1A1SLC6A2
SCHEMBL31272173 0.81 PDE7A (0.78) PDE7ASMN1; SMN2PDE7BALDH1A1SLC6A2
SCHEMBL6743647 0.80 PDE7A (0.73) PDE7ASMN1; SMN2IDO1PDE7BALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102131791-B Dibenzothiepiazane derivatives and their use ASTRAZENECA SWEDEN AB 2014-12-24 CN claimed
CN-102131791-B Dibenzothiepiazane derivatives and their use ASTRAZENECA SWEDEN AB 2014-12-24 CN disclosed
US-8653257-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2014-02-18 US disclosed
US-8653257-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2014-02-18 US disclosed
EP-2307389-B1 DIBENZOTHIAZEPINE DERIVATIVE AND USE THEREOF ASTRAZENECA AB (SE) 2013-01-23 EP disclosed
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2012-08-09 US disclosed
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2012-08-09 US disclosed
US-8158618-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-8158618-B2 Dibenzothiazepine derivatives and uses thereof—424 ASTRAZENECA AB (SE) 2012-04-17 US disclosed
CN-102131791-A Dibenzothiepiazane derivatives and their use ASTRAZENECA AB 2011-07-20 CN disclosed
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20090318415-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090318415-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
WO-2009154563-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USE THEREOF ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
US-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
WO-2005105082-A1 SUBSTITUTED HEXAHYDRO-PYRIDOINDOLE DERIVATIVES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-10 WO disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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-20090318415-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 DRD4, DRD2, GABBR1 PDE7A 1159/4885SMN1; SMN2 4076/4885IDO1 1105/4885
US-20110160184-A1 Dibenzothiazepine Derivatives and Use Thereof DRD2, DRD4, GABBR1 PDE7A 1140/4885SMN1; SMN2 4470/4885IDO1 876/4885
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D PDE7A 203/4885SMN1; SMN2 2094/4885IDO1 660/4885
US-20120202991-A1 DIBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF - 424 DRD4, DRD2, GABBR1 PDE7A 1159/4885SMN1; SMN2 4076/4885IDO1 1105/4885

“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.