SCHEMBL14634358

SCHEMBL14634358

CC(C)(C)OC(=O)c1nc(CCl)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 2/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.33
DHFR P00374 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL28488150 0.83 NPSR1 (0.42) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL30322440 0.80 LMNA (0.41) CNR1CNR2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL27837947 0.80 LMNA (0.41) CNR1CNR2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL7380726 0.80 RXRA (0.38) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL28037738 0.78 ALDH1A1 (0.36) CNR1CNR2ALDH1A1KDM4EGLA
SCHEMBL14634345 0.78 GRM5 (0.47) CNR1CNR2ALDH1A1KDM4EGLA
SCHEMBL14633897 0.78 TDP1 (0.38) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL948907 0.73 CYP1A2 (0.44) ALDH1A1MAPTSMN1; SMN2SLC7A5GABRA1
SCHEMBL8521943 0.71 CYP1A2 (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL14634361 0.71 ACACB (0.36) HSP90AA1HSP90AB1ALDH1A1KDM4EGLA

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 CNR1 837/4885CNR2 1069/4885HSP90AA1 3771/4885
US-20140171651-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CNR1 837/4885CNR2 1069/4885HSP90AA1 3771/4885
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CNR1 837/4885CNR2 1069/4885HSP90AA1 3771/4885
US-20140155616-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CNR1 837/4885CNR2 1069/4885HSP90AA1 3771/4885
US-20140194629-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CNR1 837/4885CNR2 1069/4885HSP90AA1 3771/4885

“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.