SCHEMBL20296299

SCHEMBL20296299

O=[N+]([O-])c1ccc2oc(N3CCS(=O)(=O)CC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 1/20 0.46
ATM Q13315 1/20 0.46
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
RHOA P61586 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3356620 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL25598124 0.86 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2244923 0.85 POLB (0.53) CNR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18344161 0.84 MAPT (0.50) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29364533 0.79
SCHEMBL18344085 0.79
SCHEMBL31349462 0.76 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6488937 0.76 APP (0.50) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL21979401 0.76 GAA (0.52) CNR2SMN1; SMN2MAPTKMT2A
SCHEMBL25258653 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTMEN1

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
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

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 CNR2 3518/4885RAB9A 2128/4885NPC1 3120/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB CNR2 3518/4885RAB9A 2128/4885NPC1 3120/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB CNR2 3518/4885RAB9A 2128/4885NPC1 3120/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB CNR2 3518/4885RAB9A 2128/4885NPC1 3120/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB CNR2 3518/4885RAB9A 2128/4885NPC1 3120/4885

“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.