SCHEMBL21074648

SCHEMBL21074648

C[C@@H]1COc2c(C3(NC(=O)OC(P(=O)(O)O)P(=O)(O)O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 5/20 0.52
TOP2A P11388 4/20 0.52
TOP2B Q02880 4/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
ALB P02768 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
AADAT Q8N5Z0 2/20 0.51
TUBB4A P04350 1/20 0.51
POLB P06746 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 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
SCHEMBL21783169 0.91 KDM4E (0.53) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL21074776 0.88 KDM4E (0.63) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL9875713 0.86 KDM4E (0.73) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL21074689 0.85 KDM4E (0.56) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL9873382 0.84 KDM4E (0.76) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL26932012 0.84 KDM4E (0.54) KDM4EKMT2AALDH1A1TOP2ATOP2B
Hydrochloric Acid SCHEMBL9873544 0.83 KDM4E (0.75) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL9873589 0.83 KDM4E (0.62) KDM4EKMT2AALDH1A1TOP2ATOP2B
Pazufloxacin SCHEMBL21074686 0.78 KDM4E (1.00) KDM4EKMT2AALDH1A1TOP2ATOP2B
Pazufloxacin SCHEMBL34460 0.78 KDM4E (1.00) KDM4EKMT2AALDH1A1TOP2ATOP2B

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 3437/4885KMT2A 4250/4885ALDH1A1 2346/4885
US-20190169214-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885KMT2A 4250/4885ALDH1A1 2346/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KDM4E 3437/4885KMT2A 4250/4885ALDH1A1 2346/4885
US-20210101920-A1 BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF BPGM, PHPT1, NQO2 KDM4E 3437/4885KMT2A 4250/4885ALDH1A1 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.