SCHEMBL4547993

SCHEMBL4547993

O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2nc(-c3ccc(F)cc3C(F)(F)F)oc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.40
ALK Q9UM73 2/20 0.40
ENPP2 Q13822 8/20 0.38
GCK P35557 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4547996 0.94 WDR5 (0.40) WDR5ALKENPP2GCKTRPV4
SCHEMBL1936892 0.91 ALK (0.40) WDR5ALKGCKTRPV4MEN1
SCHEMBL4548005 0.88 WDR5 (0.40) WDR5ALKENPP2GCKTRPV4
SCHEMBL4547994 0.87 KCNH2 (0.41) WDR5CHRNA7KCNH2SMN1; SMN2
SCHEMBL4547982 0.84 WNT3A (0.39) ALKGCKTRPV4NPSR1KCNH2
SCHEMBL4548009 0.82 WDR5 (0.40) WDR5ALKENPP2GCKTRPV4
SCHEMBL4547963 0.82 GCK (0.44) GCKTRPV4SMN1; SMN2
SCHEMBL1896477 0.82 PARP1 (0.43) WDR5ALKENPP2GCKTRPV4
SCHEMBL4547997 0.81 JAK2 (0.41) WDR5KCNH2SMN1; SMN2
SCHEMBL12753587 0.80 WDR5 (0.39) WDR5ALKENPP2GCKTRPV4

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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WDR5 788/4885ALK 4877/4885ENPP2 2163/4885

“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.