SCHEMBL18344019

SCHEMBL18344019

NC(=O)c1[c]ccc2oc(N3CC[C@@H](O)C3)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.37
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
ABL1 P00519 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRKDC P78527 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
IKBKB O14920 2/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
ALOX5AP P20292 1/20 0.32
STAT6 P42226 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL18344066 1.00 IRAK4 (0.37) IRAK4LCKJAK3HTR3AKCNH2
SCHEMBL18344129 0.94 IRAK4 (0.37) IRAK4HTR3AKCNH2HRH3LMNA
SCHEMBL18344010 0.93 HRH3 (0.37) IRAK4HTR3AKCNH2HRH3LMNA
SCHEMBL18344230 0.92 HTR3A (0.32) HTR3AKCNH2HRH3
SCHEMBL18344108 0.88 HRH3 (0.37) IRAK4HTR3AKCNH2HRH3LMNA
SCHEMBL18344004 0.84 MGLL (0.41) HTR3AKCNH2HRH3LMNAMAPT
SCHEMBL3749974 0.84 HRH4 (0.38) HTR3AKCNH2HRH3LMNASMN1; SMN2
SCHEMBL18344204 0.84 HRH3 (0.36) HTR3AKCNH2HRH3LMNASMN1; SMN2
SCHEMBL18344236 0.84 HRH3 (0.39) HTR3AKCNH2HRH3LMNASMN1; SMN2
SCHEMBL18344216 0.83 HRH3 (0.40) HTR3AKCNH2HRH3LMNASMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US claimed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 EP claimed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US claimed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US claimed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US claimed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP claimed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 WO claimed
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US disclosed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 US disclosed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 EP disclosed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US disclosed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP disclosed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 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 (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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB IRAK4 281/4885LCK 942/4885JAK3 1627/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB IRAK4 281/4885LCK 942/4885JAK3 1627/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB IRAK4 281/4885LCK 942/4885JAK3 1627/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB IRAK4 281/4885LCK 942/4885JAK3 1627/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB IRAK4 281/4885LCK 942/4885JAK3 1627/4885

“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.