SCHEMBL14959558

SCHEMBL14959558

C[Si](C)(C)C#Cc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.42
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
UTRN P46939 4/20 0.36
PDE10A Q9Y233 2/20 0.35
PDE2A O00408 1/20 0.35
PDE7A Q13946 1/20 0.35
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPN5 P54829 2/20 0.35
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
CETP P11597 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
SCHEMBL1024897 0.86 AGPAT2 (0.45) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1025310 0.85 AGPAT2 (0.42) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4544407 0.84 KDM4E (0.48) AGPAT2KDM4EALDH1A1GAAHPGD
SCHEMBL1024552 0.81 PDE10A (0.49) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1024614 0.81 AGPAT2 (0.44) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1024766 0.80 AGPAT2 (0.45) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1024991 0.80 AGPAT2 (0.45) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1026539 0.79 AGPAT2 (0.47) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1025922 0.79 AGPAT2 (0.44) AGPAT2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1026561 0.79 AGPAT2 (0.52) AGPAT2HDAC3HDAC1HDAC2HDAC8

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-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 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-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 AGPAT2 1407/4885HDAC3 623/4885HDAC1 379/4885

“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.