SCHEMBL16682180

SCHEMBL16682180

O=C(Cc1ccccc1)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
NPY5R Q15761 4/20 0.42
ALOX15 P16050 1/20 0.36
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
RAF1 P04049 1/20 0.34
PLK4 O00444 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL18556887 0.90 CYP2D6 (0.48) CYP2D6NPY5RALOX15CDK2
SCHEMBL21093187 0.88 CYP2D6 (0.50) CYP2D6ALOX15UBE2MDCUN1D1SMN1; SMN2
SCHEMBL16675917 0.87 NPY5R (0.43) CYP2D6NPY5RCDK2CCNA2CCNA1
SCHEMBL19135677 0.86 CYP2D6 (0.57) CYP2D6NPY5RALOX15CDK2CCNA2
SCHEMBL18556885 0.84 CYP2D6 (0.49) CYP2D6ALOX15SMN1; SMN2NPC1MAPT
SCHEMBL16682121 0.83 CYP2D6 (0.48) CYP2D6ALOX15UBE2MDCUN1D1RAF1
SCHEMBL16812137 0.83 CYP2D6 (0.48) CYP2D6ALOX15
SCHEMBL16811839 0.81 CYP2D6 (0.54) CYP2D6ALOX15CDK2CCNA2CCNA1
SCHEMBL16860011 0.81 CYP2D6 (0.54) CYP2D6ALOX15CDK2CCNA2CCNA1
SCHEMBL16865709 0.81 CYP2D6 (0.65) CYP2D6ALOX15CDK2CCNA2CCNA1

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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 (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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C CYP2D6 3177/4885NPY5R 4621/4885ALOX15 2000/4885

“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.