SCHEMBL4547982

SCHEMBL4547982

O=C(Nc1nc(CN2CCOCC2)cs1)c1cccc2nc(-c3ccccc3OC(F)(F)F)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.39
CSNK1E P49674 3/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39
CSNK1D P48730 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HCRTR1 O43613 1/20 0.38
MITF O75030 1/20 0.38
S1PR2 O95136 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALK Q9UM73 2/20 0.38
GCK P35557 1/20 0.37

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
SCHEMBL1936892 0.89 ALK (0.40) WNT3ATRPV4POLBSMN1; SMN2NPSR1
SCHEMBL4547984 0.87 KCNH2 (0.42) WNT3ASMN1; SMN2CNR2ABL1KCNH2
SCHEMBL4547963 0.86 GCK (0.44) TRPV4ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4547996 0.84 WDR5 (0.40) WNT3ATRPV4SMN1; SMN2NPSR1ALK
SCHEMBL4547993 0.84 WDR5 (0.40) TRPV4SMN1; SMN2NPSR1ALKGCK
SCHEMBL4547981 0.77 ALOX15 (0.48) KDM4EALDH1A1LMNAPOLBGAA
SCHEMBL4547999 0.76 ALK (0.40) WNT3ATRPV4SMN1; SMN2NPSR1ALK
SCHEMBL1937414 0.75 JAK2 (0.43) ALDH1A1SMN1; SMN2KCNH2
SCHEMBL4547983 0.73 MEN1 (0.47) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL4548009 0.73 WDR5 (0.40) WNT3ATRPV4ALDH1A1SMN1; SMN2NPSR1

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-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

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 WNT3A 3247/4885CSNK1E 3270/4885CSNK1G3 2709/4885

“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.