SCHEMBL21074740

SCHEMBL21074740

O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)OC(P(=O)(O)O)P(=O)(O)O)CC3)c(F)cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ LMNA P02545 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ TOP2A P11388 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ TOP2B Q02880 1/20 0.64
▸ MAPT P10636 1/20 0.63
▸ PIK3CG P48736 7/20 0.62
▸ PIK3CD O00329 5/20 0.62
▸ PIK3R1 P27986 5/20 0.62
▸ PIK3CA P42336 5/20 0.62
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL10919718 0.85 KDM4E (0.80) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL21074624 0.85 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL21074647 0.84 HSD17B10 (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14010122 0.84 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4629778 0.84 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5006578 0.84 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30306078 0.84 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL2738822 0.83 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL19668798 0.83 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL21074765 0.83 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10

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 5 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-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2023-12-12 — — US disclosed
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-08 — — US disclosed
US-10865220-B2 Bisphosphonate quinolone conjugates and uses thereof BIOVINC, LLC (US) 2020-12-15 — — US disclosed
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BIOVINC LLC (US) 2019-06-06 — — 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 (4 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 3437/4885ALDH1A1 2346/4885LMNA 2774/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885ALDH1A1 2346/4885LMNA 2774/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885ALDH1A1 2346/4885LMNA 2774/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885ALDH1A1 2346/4885LMNA 2774/4885

“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.

Send feedback