SCHEMBL20296245

SCHEMBL20296245

NC(=O)c1ccc2sc(N3CC(O)C3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 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
MAPK1 P28482 1/20 0.42
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
TYK2 P29597 5/20 0.40
JAK3 P52333 5/20 0.40
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.39
HCRTR1 O43613 3/20 0.38

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 0.90 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296433 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296546 0.87 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296386 0.82 ACACB (0.43) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL18344165 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL20296494 0.81 KDM4E (0.51) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296436 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296489 0.78 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296509 0.77 CNR2 (0.46) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL20296398 0.77 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB NPC1 3120/4885RAB9A 2128/4885SMN1; 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.