SCHEMBL2846447

SCHEMBL2846447

CCOC(=O)COc1nc(C)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
MITF O75030 2/20 0.44
POLB P06746 4/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
NPSR1 Q6W5P4 5/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
TLR9 Q9NR96 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.41
ITGA4 P13612 1/20 0.41
S1PR1 P21453 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSP90AA1 P07900 1/20 0.39
PKM P14618 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
SCHEMBL13173066 0.80 TSHR (0.63) TSHRPOLBALDH1A1MAPTNPSR1
SCHEMBL2846140 0.78 TSHR (0.60) TSHRPOLBALDH1A1NPSR1LMNA
SCHEMBL21047996 0.75 POLB (0.38) TSHRMITFPOLBALDH1A1MAPT
SCHEMBL2844617 0.75 LMNA (0.45) TSHRMITFPOLBALDH1A1MAPT
SCHEMBL9460319 0.72 TSHR (0.54) TSHRPOLBALDH1A1NPSR1SMN1; SMN2
SCHEMBL19539399 0.72 POLB (0.38) POLBALDH1A1MAPTNPSR1LMNA
SCHEMBL315714 0.72 KDM4E (0.50) TSHRPOLBALDH1A1MAPTNPSR1
SCHEMBL12885398 0.70 TSHR (0.51) TSHRPOLBALDH1A1NPSR1HPGD
SCHEMBL19539400 0.70 PRMT1 (0.40) POLBMAPTNPSR1LMNASMN1; SMN2
SCHEMBL19692794 0.70 MITF (0.41) TSHRMITFPOLBALDH1A1MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
US-8592435-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-26 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
EP-2151439-A1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-02-10 EP 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF TSHR 2528/4885MITF 3914/4885POLB 1778/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 TSHR 3198/4885MITF 4544/4885POLB 1258/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 TSHR 3198/4885MITF 4544/4885POLB 1258/4885

“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.