SCHEMBL680113

SCHEMBL680113

COc1c(N2CC3CCCNC3C2)c(F)c(N)c2c(=O)c(C)cn(C3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KCNH2 Q12809 4/20 0.43
POLB P06746 2/20 0.43
CACNA1F O60840 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 6/20 0.37

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
SCHEMBL679172 0.91 KCNH2 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL13762345 0.88 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL680682 0.83 KCNH2 (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL680074 0.79 KCNH2 (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1985770 0.79 MEN1 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1985768 0.79 MEN1 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6211264 0.79 MEN1 (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
Acetic Acid SCHEMBL1984713 0.79 MEN1 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
Acetic Acid SCHEMBL1984715 0.79 MEN1 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL8982761 0.78 KCNH2 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1

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 KDM4E 392/4885ALDH1A1 4160/4885HPGD 1869/4885
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KDM4E 392/4885ALDH1A1 4160/4885HPGD 1869/4885

“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.