SCHEMBL5080694

SCHEMBL5080694

NC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C23CC(C2)C3)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.59
PRKD3 O94806 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
IRAK1 P51617 1/20 0.51
RPS6KA3 P51812 1/20 0.51
DYRK1A Q13627 1/20 0.51
PIM3 Q86V86 1/20 0.51
CSNK1G3 Q9Y6M4 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
TOP2A P11388 8/20 0.48
TOP2B Q02880 6/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL5084361 0.89 ALDH1A1 (0.49) TOP1KMT2AALDH1A1TOP2ATOP2B
SCHEMBL5080589 0.88 TOP1 (0.62) TOP1ALDH1A1TOP2ATOP2BKDM4E
SCHEMBL5086645 0.84 ALDH1A1 (0.44) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL5083273 0.83 ALDH1A1 (0.67) TOP1KMT2AALDH1A1TOP2ATOP2B
SCHEMBL5086541 0.83 ALDH1A1 (0.65) KMT2AALDH1A1TOP2ATOP2BKDM4E
SCHEMBL5083114 0.83 ALDH1A1 (0.52) TOP1PRKD3KMT2AALDH1A1POLB
SCHEMBL5086168 0.83 ALDH1A1 (0.52) KMT2AALDH1A1TOP2ATOP2BKDM4E
SCHEMBL5571927 0.82 ALDH1A1 (0.71) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL5571931 0.82 ALDH1A1 (0.71) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL5571992 0.82 ALDH1A1 (0.71) TOP1PRKD3PIM1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447484-A1 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1991-09-25 EP claimed
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 TOP1 2795/4885PRKD3 3105/4885PIM1 4723/4885

“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.