SCHEMBL12665495

SCHEMBL12665495

CC(C)NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.75
FLT4 P35916 1/20 0.75
GSK3B P49841 1/20 0.75
RARB P10826 1/20 0.75
TBXAS1 P24557 1/20 0.75
SLC6A3 Q01959 1/20 0.75
LMNA P02545 5/20 0.73
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 3/20 0.73
HSD17B10 Q99714 3/20 0.73
POLB P06746 2/20 0.73
HPGD P15428 2/20 0.73
XBP1 P17861 1/20 0.73
NFKB1 P19838 1/20 0.73
HTT P42858 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
KMT2A Q03164 2/20 0.65
DPP4 P27487 6/20 0.47
CYP2C9 P11712 2/20 0.43

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
Trovafloxacin2 SCHEMBL12673592 0.91 EPHA2 (0.79) EPHA2FLT4GSK3BRARBTBXAS1
Trovafloxacin2 SCHEMBL9186003 0.91 EPHA2 (0.79) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9735079 0.89 EPHA2 (0.74) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL13576349 0.88 EPHA2 (0.68) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL140568 0.88 EPHA2 (0.68) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL16518641 0.88 EPHA2 (0.83) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL12665477 0.87 KMT2A (0.73) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL41135 0.86 LMNA (0.72) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8191327 0.86 LMNA (0.72) EPHA2FLT4GSK3BRARBTBXAS1
Alatrofloxacin SCHEMBL140567 0.86 EPHA2 (0.69) EPHA2FLT4GSK3BRARBTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB EPHA2 2156/4885FLT4 2839/4885GSK3B 936/4885

“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.