SCHEMBL972688

SCHEMBL972688

CC(C)(C)OC(=O)NNC(=O)NCCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
F13A1 P00488 1/20 0.54
ESRRB O95718 2/20 0.51
ESRRG P62508 2/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
NQO2 P16083 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAPT P10636 2/20 0.46
NAMPT P43490 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL100146 0.88 KDM4E (0.60) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL30439339 0.87 CA2 (0.58) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL15251822 0.86 NPC1 (0.43) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL13220487 0.83 PTPN1 (0.47) NPC1RAB9ASMN1; SMN2GAACA2
SCHEMBL13220485 0.82 PTPN1 (0.46) NPC1RAB9ASMN1; SMN2GAACA2
SCHEMBL4449400 0.82 KDM4E (0.53) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL13892876 0.82 NAMPT (0.56) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL972841 0.81 NPC1 (0.48) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL18257113 0.81 KDM4E (0.51) KDM4EF13A1ESRRBESRRGNPC1
SCHEMBL7465537 0.79 ESRRG (0.58) KDM4EF13A1ESRRBESRRGGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252604-B1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2014-01-08 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO 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 (1 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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA KDM4E 3352/4885F13A1 2192/4885ESRRB 2435/4885

“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.