SCHEMBL5086571

SCHEMBL5086571

NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C23CC(C2)C3)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
EPHA2 P29317 1/20 0.51
FLT4 P35916 1/20 0.51
GSK3B P49841 1/20 0.51
RARB P10826 1/20 0.51
TBXAS1 P24557 1/20 0.51
SLC6A3 Q01959 1/20 0.51
DPP4 P27487 6/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
CHRM2 P08172 2/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5086558 1.00 KMT2A (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5080649 0.90 KMT2A (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5083215 0.84 DPP4 (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5083144 0.84 DPP4 (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5080362 0.84 DPP4 (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5083223 0.84 DPP4 (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5083140 0.84 DPP4 (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5083242 0.84 EPHA2 (0.49) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5083883 0.84 LMNA (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5084072 0.84 LMNA (0.53) KMT2AEPHA2FLT4GSK3BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO claimed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-5385906-A Treating gramnegative and grampositive bacterial infections THE UPJOHN COMPANY (US) 1995-01-31 US disclosed
US-5262417-A Antibacterial quinolone compounds THE UPJOHN COMPANY (US) 1993-11-16 US disclosed
EP-0447484-A1 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1991-09-25 EP disclosed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN KMT2A 1354/4885EPHA2 2318/4885FLT4 4759/4885

“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.