SCHEMBL14633780

SCHEMBL14633780

CC(C)(C)OC(=O)c1c(N)ccc(CCl)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GRM6 O15303 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC7A5 Q01650 1/20 0.31
GLA P06280 1/20 0.30
THRB P10828 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL14634381 0.82 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL1424319 0.67 TSHR (0.40) KDM4EALDH1A1MAPTTSHR
SCHEMBL14633779 0.67 ATM (0.36) CA12CA1CA2CA9CA14
SCHEMBL14634358 0.67 CNR1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL27512738 0.66 GRM6 (0.39) CA12CA1CA2CA9CA14
SCHEMBL11090176 0.65 ALOX15 (0.53) CA12CA1CA2CA9CA14
SCHEMBL1919683 0.62 CA1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL415970 0.62 ABL1 (0.50) ALOX15KDM4EALDH1A1GAAMAPT
SCHEMBL355085 0.62 ALOX15 (0.47) CA12CA1CA2CA9CA14
SCHEMBL2730411 0.61 GRM6 (0.49) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842944-B1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NIPPON SODA CO (JP) 2017-03-15 EP disclosed
EP-2557078-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-03-23 EP disclosed
EP-2730561-B1 Methods to prepare haloalkyl nitrogen-containing heterocyclic compounds NIPPON SODA CO (JP) 2015-10-14 EP disclosed
US-8981107-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-03-17 US disclosed
EP-2842944-A1 Method for producing nitrogen-containing heterocyclic compound NIPPON SODA CO., LTD. (JP) 2015-03-04 EP disclosed
US-8962850-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8962849-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8809544-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD. (JP) 2014-08-19 US disclosed
US-20140194629-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2014-07-10 US disclosed
CN-102844302-B Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO 2014-07-09 CN disclosed
US-20140171651-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2014-06-19 US disclosed
US-20140163235-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2014-06-12 US disclosed
US-20140155616-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2014-06-05 US disclosed
EP-2730561-A1 Methods to prepare nitrogen-containing heterocyclic compounds NIPPON SODA CO., LTD. (JP) 2014-05-14 EP disclosed
US-8703959-B2 Nitrogen-containing heterocyclic compound and method for producing same NIPPON SODA CO., LTD (JP) 2014-04-22 US disclosed
EP-2557078-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2013-02-13 EP disclosed
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2013-01-24 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 (5 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-20140163235-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CA12 4088/4885CA1 1871/4885CA2 2523/4885
US-20140171651-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CA12 4088/4885CA1 1871/4885CA2 2523/4885
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CA12 4088/4885CA1 1871/4885CA2 2523/4885
US-20140155616-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CA12 4088/4885CA1 1871/4885CA2 2523/4885
US-20140194629-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CA12 4088/4885CA1 1871/4885CA2 2523/4885

“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.