SCHEMBL18344170

SCHEMBL18344170

Nc1ccc2sc(N3CCC[C@@H](O)C3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
SMPD3 Q9NY59 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CNR2 P34972 1/20 0.40
IKBKB O14920 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 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
SCHEMBL18344133 1.00 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL18344077 0.92 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL23965799 0.90 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL18344165 0.87 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21588495 0.85 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL21588480 0.85 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL24595159 0.85 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL18344181 0.84 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL20296433 0.83 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL18344142 0.82 RAB9A (0.58) NPC1RAB9AMAPTSMN1; SMN2GAA

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
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 NPC1 3120/4885RAB9A 2128/4885MAPT 2832/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885MAPT 2832/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885MAPT 2832/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885MAPT 2832/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885MAPT 2832/4885

“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.