SCHEMBL17933728

SCHEMBL17933728

c1ccc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.63
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KIF11 P52732 7/20 0.52
MAOA P21397 1/20 0.50
CHRM2 P08172 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL1906153 0.87 SIRT2 (0.63) SIRT2KIF11
SCHEMBL330276 0.85 SIRT2 (0.52) SIRT2MEN1KMT2ATDP1KIF11
SCHEMBL11370850 0.77 MEN1 (0.70) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL14962372 0.76 SIRT2 (0.52) SIRT2KIF11
SCHEMBL20043060 0.76 SIRT2 (0.52) SIRT2KIF11GAA
SCHEMBL25491030 0.76 KMT2A (0.52) SIRT2MEN1KMT2ATDP1MAOA
SCHEMBL7206096 0.76 KIF11 (0.57) SIRT2KIF11
SCHEMBL11490946 0.75 KIF11 (0.52) SIRT2KIF11
SCHEMBL17345974 0.73 SIRT2 (0.50) SIRT2KIF11
SCHEMBL19154882 0.73 SIRT2 (0.50) SIRT2KIF11SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 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-20160207893-A1 NOVEL CALCIUM MODULATORS CACNA1E, CASR, CACNA1D SIRT2 2911/4885MEN1 1397/4885KMT2A 3543/4885

“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.