SCHEMBL974943

SCHEMBL974943

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
F13A1 P00488 1/20 0.62
NPC1 O15118 2/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
GFER P55789 1/20 0.53
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
OPRM1 P35372 3/20 0.52
EPHX1 P07099 1/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
ESRRB O95718 2/20 0.50

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
SCHEMBL1437502 0.86 KDM4E (0.69) KDM4EF13A1NPC1GAARAB9A
SCHEMBL14577474 0.81 KDM4E (0.68) KDM4EF13A1NPC1GAARAB9A
SCHEMBL27799797 0.80 KDM4E (0.66) KDM4EF13A1NPC1GAARAB9A
SCHEMBL19472678 0.80 FPR2 (0.69) KDM4EF13A1NPC1RAB9ASMN1; SMN2
SCHEMBL4675943 0.79 KDM4E (0.55) KDM4EF13A1NPC1GAARAB9A
SCHEMBL4676756 0.79 KDM4E (0.55) KDM4EF13A1NPC1GAARAB9A
SCHEMBL14370357 0.79 KDM4E (0.69) KDM4EF13A1NPC1GAARAB9A
SCHEMBL972688 0.78 KDM4E (0.54) KDM4EF13A1NPC1GAARAB9A
SCHEMBL31272990 0.78 KDM4E (0.62) KDM4EF13A1NPC1GAARAB9A
SCHEMBL19472696 0.77 CNR1 (0.76) KDM4EF13A1NPC1RAB9ASMN1; SMN2

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 6 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-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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 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 (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 2192/4885NPC1 36/4885

“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.