SCHEMBL20296433

SCHEMBL20296433

NC(=O)c1ccc2sc(N3CCCC(O)C3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPK1 P28482 2/20 0.47
CNR2 P34972 1/20 0.44
IKBKB O14920 2/20 0.44
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 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
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
CHUK O15111 1/20 0.41

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
SCHEMBL20296662 0.93 SMN1; SMN2 (0.46) NPC1RAB9AMAPK1CNR2IKBKB
SCHEMBL20296245 0.88 NPC1 (0.42) NPC1RAB9AMAPK1CNR2TP53
SCHEMBL20296546 0.86 SMN1; SMN2 (0.51) NPC1RAB9AMAPK1CNR2TP53
SCHEMBL20296398 0.85 NPC1 (0.44) NPC1RAB9AMAPK1CNR2TP53
SCHEMBL20296754 0.85 NPC1 (0.44) NPC1RAB9AMAPK1CNR2TP53
SCHEMBL18344170 0.83 NPC1 (0.45) NPC1RAB9AMAPK1CNR2IKBKB
SCHEMBL18344133 0.83 NPC1 (0.45) NPC1RAB9AMAPK1CNR2IKBKB
SCHEMBL20296471 0.79 NPC1 (0.41) NPC1RAB9AMAPK1CNR2TP53
SCHEMBL20296513 0.78 SMN1; SMN2 (0.43) NPC1RAB9AMAPK1TP53SMN1; SMN2
SCHEMBL20296489 0.77 SMN1; SMN2 (0.50) NPC1RAB9AMAPK1CNR2IKBKB

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 2128/4885MAPK1 373/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885MAPK1 373/4885

“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.