SCHEMBL14634232

SCHEMBL14634232

Cc1cccc(NC(=O)OC(C)(C)C)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.39
NAMPT P43490 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 2/20 0.35
CYP17A1 P05093 1/20 0.35
ATR Q13535 1/20 0.35
MAPT P10636 2/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14633891 0.85 NLRP3 (0.42)
SCHEMBL14633779 0.80 ATM (0.36) LCKNAMPTCA12CA1CA9
SCHEMBL14634229 0.80 ALDH1A1 (0.47) LMNAPOLBRAB9AMAPTNPC1
SCHEMBL1860702 0.80 L3MBTL1 (0.44) LCKCA12CA1CA9LMNA
SCHEMBL823328 0.77 LMNA (0.39) NAMPTCA12CA1RXFP1LMNA
SCHEMBL946381 0.73 CA12 (0.36) CA12CA1CA9LMNAMAPT
SCHEMBL24574915 0.70 LCK (0.60) LCKLMNAPOLBATR
SCHEMBL4907112 0.70 CYP1A2 (0.40) LMNARAB9ANPC1SMN1; SMN2
SCHEMBL12133554 0.69 ATR (0.39) LCKNAMPTCA12CA1CA9
SCHEMBL7403603 0.69 LCK (0.41) LCKNAMPTCA12CA1CA9

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 16 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
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 LCK 2739/4885NAMPT 424/4885CA12 4088/4885
US-20140171651-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 LCK 2739/4885NAMPT 424/4885CA12 4088/4885
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 LCK 2739/4885NAMPT 424/4885CA12 4088/4885
US-20140155616-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 LCK 2739/4885NAMPT 424/4885CA12 4088/4885
US-20140194629-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 LCK 2739/4885NAMPT 424/4885CA12 4088/4885

“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.