SCHEMBL3770536

SCHEMBL3770536

O=C(Nc1ccc2[nH]ncc2c1)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.85
RAB9A P51151 4/20 0.85
JAK2 O60674 2/20 0.85
JAK1 P23458 1/20 0.85
MAOB P27338 2/20 0.74
DYRK3 O43781 1/20 0.65
ROCK2 O75116 1/20 0.65
MAP4K4 O95819 1/20 0.65
RPS6KB1 P23443 1/20 0.65
CLK2 P49760 1/20 0.65
CSNK2A1 P68400 1/20 0.65
ROCK1 Q13464 1/20 0.65
DYRK1A Q13627 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
MKNK2 Q9HBH9 1/20 0.65

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
SCHEMBL15764657 0.92 JAK2 (1.00) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL15764674 0.84 ROCK2 (0.75) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL3380296 0.82 NPC1 (1.00) NPC1RAB9AJAK2JAK1DYRK3
SCHEMBL18668994 0.81 MAOB (0.84) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL5415117 0.80 MAOB (0.80) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL15764676 0.79 NPC1 (1.00) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL15764669 0.79 NPC1 (0.76) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL15764661 0.79 NPC1 (0.74) NPC1RAB9AJAK2MAOBDYRK3
SCHEMBL25131975 0.79 NPC1 (0.75) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL5401343 0.78 NPC1 (0.65) NPC1RAB9AJAK2JAK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 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 (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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 NPC1 145/4885RAB9A 2083/4885JAK2 540/4885

“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.