SCHEMBL13033756

SCHEMBL13033756

CC(C)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
GABRA1 P14867 3/20 0.44
GABRB2 P47870 2/20 0.44
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
KDM4E B2RXH2 1/20 0.40
DBH P09172 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NTRK1 P04629 1/20 0.38
NOS1 P29475 2/20 0.36
GSK3B P49841 1/20 0.35
PDK2 Q15119 1/20 0.35
ADRA2A P08913 1/20 0.35
MLYCD O95822 2/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SLC2A1 P11166 1/20 0.32
DUSP3 P51452 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
SCHEMBL23789760 0.87 KIF11 (0.44) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL13073461 0.81 KIF11 (0.50) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL19407439 0.80 MLYCD (0.58) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL24534461 0.80 CA12 (0.51) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL2380170 0.79 KIF11 (0.51) KIF11NOS1PDK2
SCHEMBL14655025 0.78 KIF11 (0.51) KIF11NTRK1PDK2
SCHEMBL2438979 0.77 KIF11 (0.58) KIF11GABRA1GABRB2RECQLNOS1
SCHEMBL20809262 0.77 KIF11 (0.50) KIF11GABRA1GABRB2GABRG2GABRB3
SCHEMBL24534621 0.77 KIF11 (0.50) KIF11GABRA1GABRB2NOS1PDK2
SCHEMBL17865303 0.77 KIF11 (0.47) KIF11GABRA1GABRB2GABRG2GABRB3

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-20210277044-A1 NOVEL MOLECULES FOR TARGETING RIBOSOMES AND RIBOSOME-INTERACTING PROTEINS, AND USES THEREOF IMMAGINA BIOTECHNOLOGY S.R.L. (IT) 2021-09-09 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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 (2 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS KIF11 2903/4885GABRA1 4603/4885GABRB2 4690/4885
US-20210277044-A1 NOVEL MOLECULES FOR TARGETING RIBOSOMES AND RIBOSOME-INTERACTING PROTEINS, AND USES THEREOF RRBP1, RPLP1, MRPS18B KIF11 2906/4885GABRA1 3597/4885GABRB2 2967/4885

“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.