SCHEMBL1151570

SCHEMBL1151570

CCCCCNC(=NC#N)NCCF

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.37
CASP2 P42575 1/20 0.34
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 2/20 0.33
MGLL Q99685 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NAAA Q02083 1/20 0.33
RRM1 P23921 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
SCHEMBL25615703 0.83 EPHX1 (0.42) EPHX1CASP2ZDHHC20ZDHHC2MGLL
SCHEMBL14996213 0.82 KDM1A (0.40) EPHX1CASP2ZDHHC20ZDHHC2MGLL
SCHEMBL11484382 0.81 EPHX1 (0.42) EPHX1CASP2ZDHHC20ZDHHC2MGLL
SCHEMBL13631010 0.81 EPHX1 (0.42) EPHX1CASP2ZDHHC20ZDHHC2MGLL
SCHEMBL22943391 0.81 GRIN2D (0.38) EPHX1MGLLDPP7RRM1
SCHEMBL22965147 0.80 DNM1 (0.45) EPHX1
SCHEMBL21927806 0.77 EPHX1 (0.34) EPHX1MGLLNAAA
SCHEMBL12344051 0.77 EPHX1 (0.43) EPHX1CASP2ZDHHC20ZDHHC2MGLL
SCHEMBL13488627 0.77 KDM1A (0.41) EPHX1MGLL
SCHEMBL21473536 0.75 DNM1 (0.42) EPHX1MGLL

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-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B EPHX1 886/4885CASP2 1559/4885ZDHHC20 2097/4885

“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.