SCHEMBL20296398

SCHEMBL20296398

CO[C@H]1CCCN(c2nc3cc(C(N)=O)ccc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 2/20 0.44
PABPC1 P11940 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
PIN1 Q13526 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 3/20 0.42
MITF O75030 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 2/20 0.41
TMPRSS15 P98073 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL20296754 1.00 NPC1 (0.44) NPC1RAB9AKDM4EPABPC1CASP1
SCHEMBL20296433 0.85 NPC1 (0.47) NPC1RAB9AKDM4EPABPC1CASP1
SCHEMBL18344033 0.84 MAP4K4 (0.46) NPC1RAB9AKDM4EHSD17B10PIN1
SCHEMBL20296662 0.80 SMN1; SMN2 (0.46) NPC1RAB9AKDM4EPABPC1CASP1
SCHEMBL20296386 0.80 ACACB (0.43) NPC1RAB9AKDM4EPABPC1CASP1
SCHEMBL20296756 0.78 ADORA2A (0.42) KDM4EPABPC1CASP1CASP7HSD17B10
SCHEMBL20296546 0.78 SMN1; SMN2 (0.51) NPC1RAB9AKDM4EPABPC1CASP1
SCHEMBL20296245 0.77 NPC1 (0.42) NPC1RAB9AKDM4EPABPC1CASP1
SCHEMBL20296520 0.77 MGLL (0.46) NPC1RAB9ACNR2ALDH1A1MAP4K4
SCHEMBL18344072 0.77 SMN1; SMN2 (0.63) NPC1RAB9AKDM4EPABPC1CASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 2128/4885KDM4E 1452/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885KDM4E 1452/4885

“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.