SCHEMBL1497430

SCHEMBL1497430

N=C(N)NC12CC3CC(CC(F)(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 4/20 0.34
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL12758988 0.79 TSHR (0.58) SIGMAR1TSHREPHX2EPHX1GAA
SCHEMBL1237952 0.78 EPHX2 (0.54) SIGMAR1EPHX2EPHX1
SCHEMBL26456702 0.75 DPP4 (0.38) SIGMAR1TSHREPHX2EPHX1MEN1
SCHEMBL11351429 0.72 TSHR (0.41) TSHREPHX2EPHX1MEN1KMT2A
SCHEMBL2574454 0.68 GRIN2D (0.33) SIGMAR1TSHR
SCHEMBL6224321 0.67 SIGMAR1 (0.41) SIGMAR1TSHREPHX2EPHX1GAA
SCHEMBL6155951 0.67 PKM (0.47) SIGMAR1TSHREPHX2EPHX1
SCHEMBL25589905 0.67 GRIN2D (0.35) TSHREPHX2
SCHEMBL31374420 0.64 SMN1; SMN2 (0.39) MEN1KMT2A
SCHEMBL6155002 0.64 PKM (0.44) TSHREPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 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-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 SIGMAR1 2531/4885TSHR 3751/4885EPHX2 3743/4885

“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.