SCHEMBL21074708

SCHEMBL21074708

N#Cc1c(N2C[C@@H]3CCCN(C(=O)OC(P(=O)(O)O)P(=O)(O)O)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 6/20 0.44
POLB P06746 3/20 0.44
OPRM1 P35372 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL21783170 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21074773 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21074742 0.89 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL23197067 0.88 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21074736 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7978646 0.84 KCNH2 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7962322 0.84 KCNH2 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7978642 0.84 KCNH2 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7975716 0.82 KCNH2 (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7970259 0.81 KCNH2 (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1

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 4 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-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 2346/4885HPGD 266/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885ALDH1A1 2346/4885HPGD 266/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885ALDH1A1 2346/4885HPGD 266/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885ALDH1A1 2346/4885HPGD 266/4885

“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.