SCHEMBL18344130

SCHEMBL18344130

NC(=O)c1[c]ccc2sc(N3CCC[C@H](O)C3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
USP2 O75604 1/20 0.41
IKBKB O14920 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 5/20 0.38
CHUK O15111 1/20 0.38
PIN1 Q13526 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 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
SCHEMBL18344167 1.00 MAPT (0.41) MAPTUSP2IKBKBHRH3RAB9A
SCHEMBL18344075 0.94 MAPT (0.38) MAPTUSP2IKBKBRAB9APIN1
SCHEMBL18344163 0.89 MAPT (0.35) MAPTUSP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18344179 0.88 MAPT (0.41) MAPTIKBKBRAB9ASMN1; SMN2L3MBTL1
SCHEMBL18344139 0.86 RAB9A (0.47) MAPTRAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL18344032 0.85 HRH3 (0.41) MAPTUSP2HRH3RAB9APIN1
SCHEMBL18344087 0.85 SMN1; SMN2 (0.48) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18344023 0.82 PIN1 (0.39) MAPTUSP2IKBKBHRH3PIN1
SCHEMBL18344094 0.80 SMN1; SMN2 (0.37) MAPTUSP2HRH3RAB9ASMN1; SMN2
SCHEMBL18344235 0.79 MAPT (0.39) MAPTIKBKBHRH3RAB9APIN1

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
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN claimed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 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-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
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN disclosed
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
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 MAPT 2832/4885USP2 3064/4885IKBKB 765/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB MAPT 2832/4885USP2 3064/4885IKBKB 765/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB MAPT 2832/4885USP2 3064/4885IKBKB 765/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB MAPT 2832/4885USP2 3064/4885IKBKB 765/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB MAPT 2832/4885USP2 3064/4885IKBKB 765/4885

“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.