SCHEMBL21074643

SCHEMBL21074643

C[C@@H]1CN(c2c(F)c(NC(=O)OC(C)(P(=O)(O)O)P(=O)(O)O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KCNH2 Q12809 3/20 0.61
POLB P06746 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
GSK3B P49841 9/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21783175 0.94 MEN1 (0.61) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL21074712 0.87 MEN1 (0.67) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL21074751 0.85 KDM4E (0.58) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL21074635 0.81 POLB (0.54) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL21074775 0.81 MEN1 (0.65) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL21074625 0.81 MEN1 (0.58) MEN1KMT2AKCNH2POLBCACNA1F
Orbifloxacin SCHEMBL9374152 0.80 MEN1 (1.00) MEN1KMT2AKCNH2POLBCACNA1F
Orbifloxacin SCHEMBL125116 0.80 MEN1 (1.00) MEN1KMT2AKCNH2POLBCACNA1F
Orbifloxacin SCHEMBL29420860 0.80 MEN1 (1.00) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10584006 0.78 MEN1 (0.86) MEN1KMT2AKCNH2POLBCACNA1F

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 MEN1 338/4885KMT2A 4250/4885KCNH2 4450/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 MEN1 338/4885KMT2A 4250/4885KCNH2 4450/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 MEN1 338/4885KMT2A 4250/4885KCNH2 4450/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 MEN1 338/4885KMT2A 4250/4885KCNH2 4450/4885

“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.