SCHEMBL20296489

SCHEMBL20296489

CN(C)C1CCN(c2nc3cc(C(N)=O)ccc3s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 4/20 0.50
MITF O75030 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM4E B2RXH2 2/20 0.47
PABPC1 P11940 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.44
TMPRSS15 P98073 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL20296546 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL20296494 0.82 KDM4E (0.51) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL18344188 0.82 NPC1 (0.49) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL20296513 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL20296662 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL20296436 0.79 NPC1 (0.43) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL20296245 0.78 NPC1 (0.42) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL20296433 0.77 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATP53MITF
SCHEMBL27644677 0.76 RAB9A (0.58) SMN1; SMN2NPC1RAB9ATP53GAA
SCHEMBL20296509 0.76 CNR2 (0.46) SMN1; SMN2NPC1RAB9ATP53MITF

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 4 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
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-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 (3 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 SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885

“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.