SCHEMBL680682

SCHEMBL680682

COc1c(N2CC3CCCN(C)C3C2)c(F)c(N)c2c(=O)c(C)cn(C3CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
POLB P06746 2/20 0.41
CACNA1F O60840 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3B P49841 7/20 0.37
PRKD3 O94806 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
CLK2 P49760 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL679183 0.91 CACNA1F (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL680239 0.88 KCNH2 (0.56) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL680113 0.83 KDM4E (0.57) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL680312 0.82 KDM4E (0.54) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL680634 0.79 CACNA1F (0.67) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL679171 0.77 ALDH1A1 (0.42) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL14749181 0.73 KDM4E (0.70) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL30388535 0.73 KDM4E (0.70) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL680655 0.73 KDM4E (0.70) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL679172 0.73 KCNH2 (0.51) KCNH2POLBCACNA1FMAPK1CACNA1D

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-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2012-05-03 US disclosed
US-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2011-06-30 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-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KCNH2 1953/4885POLB 276/4885CACNA1F 3937/4885
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KCNH2 1953/4885POLB 276/4885CACNA1F 3937/4885

“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.