SCHEMBL596065

SCHEMBL596065

[O]CC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.72
HSD17B10 Q99714 9/20 0.72
HPGD P15428 4/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
RECQL P46063 1/20 0.72
ALDH1A1 P00352 10/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 1/20 0.64
LMNA P02545 1/20 0.64
CASP1 P29466 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL5052466 0.88 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15630682 0.86 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL6387072 0.86 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL12781875 0.86 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15007834 0.86 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL23682791 0.84 KDM4E (0.81) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL7362098 0.84 KDM4E (1.00) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL9987671 0.84 KDM4E (0.75) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL30206549 0.84 KDM4E (0.75) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL27580597 0.83 ALDH1A1 (0.82) KDM4EHSD17B10HPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 US claimed
US-8722917-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-13 US claimed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 US claimed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP claimed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO claimed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US claimed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-05-30 US disclosed
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-8168614-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8115026-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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 (13 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-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885HSD17B10 2105/4885HPGD 4545/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 KDM4E 3530/4885HSD17B10 549/4885HPGD 8/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885HSD17B10 2904/4885HPGD 912/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885HSD17B10 2904/4885HPGD 912/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885HSD17B10 2904/4885HPGD 912/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885HSD17B10 2904/4885HPGD 912/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF KDM4E 4108/4885HSD17B10 3320/4885HPGD 920/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885HSD17B10 2105/4885HPGD 4545/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 KDM4E 3418/4885HSD17B10 2105/4885HPGD 4545/4885
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF KDM4E 4108/4885HSD17B10 3320/4885HPGD 920/4885
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885HSD17B10 2105/4885HPGD 4545/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885HSD17B10 2904/4885HPGD 912/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885HSD17B10 2904/4885HPGD 912/4885

“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.