SCHEMBL18344142

SCHEMBL18344142

Nc1ccc2sc(N3CCCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.58
NPC1 O15118 13/20 0.58
SMN1; SMN2 Q16637 11/20 0.58
MAPT P10636 6/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 7/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALOX15 P16050 2/20 0.52
LMNA P02545 1/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MEN1 O00255 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL18344088 0.98 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL19326470 0.87 NPC1 (0.76) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL18344200 0.86 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL18344064 0.86 SMN1; SMN2 (0.79) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL21588387 0.85 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL18344181 0.84 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL20296301 0.84 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL14403537 0.83 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL24595159 0.82 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL21588495 0.82 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTGAA

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 16 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
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 RAB9A 2128/4885NPC1 3120/4885SMN1; SMN2 3582/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB RAB9A 2128/4885NPC1 3120/4885SMN1; SMN2 3582/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB RAB9A 2128/4885NPC1 3120/4885SMN1; SMN2 3582/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB RAB9A 2128/4885NPC1 3120/4885SMN1; SMN2 3582/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB RAB9A 2128/4885NPC1 3120/4885SMN1; SMN2 3582/4885

“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.