SCHEMBL1798290

SCHEMBL1798290

C[Si](C)(C)C#Cc1cc(C#N)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
ACACB O00763 1/20 0.36
AR P10275 2/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTR2A P28223 2/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDO1 P14902 1/20 0.33
CYP2A6 P11509 2/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL27670401 0.86 AR (0.39) VCAM1PTGDR2ARMAOAMAOB
SCHEMBL16620701 0.81 FFAR1 (0.47) PTGDR2ARCYP11B1CYP11B2CYP2A6
SCHEMBL25027170 0.79 ALDH1A1 (0.35) SLC6A4CYP2A6IMPDH2IMPDH1ALDH1A1
SCHEMBL29172852 0.78 TP53 (0.39) PTGDR2ALDH1A1
SCHEMBL30177076 0.77 CYP11B1 (0.40) ARCYP11B1CYP11B2CYP2A6IMPDH2
SCHEMBL23974922 0.77 CYP11B1 (0.40) ARCYP11B1CYP11B2CYP2A6IMPDH2
SCHEMBL3838602 0.77 VCAM1 (0.50) VCAM1PTGDR2ACACBARMAOA
SCHEMBL29898505 0.77 VCAM1 (0.50) VCAM1PTGDR2ACACBARMAOA
SCHEMBL1798639 0.77 AR (0.44) PTGDR2ARSLC6A4CYP11B1CYP11B2
SCHEMBL21523856 0.76 CYP11B2 (0.40) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
CN-1869027-A Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles UNIV NORTH CAROLINA (US) 2006-11-29 CN disclosed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US disclosed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP 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-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO VCAM1 3778/4885PTGDR2 2389/4885ACACB 3516/4885

“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.