SCHEMBL22778992

SCHEMBL22778992

COc1c(N2CCN(C(=O)OC(C)(P(=O)(O)O)P(=O)(O)O)C(C)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
KCNH2 Q12809 4/20 0.51
POLB P06746 3/20 0.51
CACNA1F O60840 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GSK3B P49841 5/20 0.46
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL21783201 0.92 KDM4E (0.49) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL23197070 0.88 KDM4E (0.54) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL26931416 0.84 CACNA1F (0.65) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL21074735 0.83 KDM4E (0.49) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL26932000 0.81 KDM4E (0.47) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL8572213 0.81 KCNH2 (0.57) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL8564558 0.81 KCNH2 (0.57) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL8569402 0.81 KCNH2 (0.57) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL21783269 0.80 KDM4E (0.51) KDM4EHPGDALDH1A1LMNAKCNH2
SCHEMBL9372691 0.80 KCNH2 (0.60) KDM4EHPGDALDH1A1LMNAKCNH2

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-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 US disclosed
US-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2020-12-15 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-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885HPGD 266/4885ALDH1A1 2346/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885HPGD 266/4885ALDH1A1 2346/4885

“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.