SCHEMBL22778993

SCHEMBL22778993

Cc1c(F)c(N2CCN(C(=O)OC(C)(P(=O)(O)O)P(=O)(O)O)C(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.62
HRH3 Q9Y5N1 1/20 0.62
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.42
LMNA P02545 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
TOP2A P11388 1/20 0.41
CYP2C9 P11712 1/20 0.41
TOP2B Q02880 1/20 0.41
PIK3CG P48736 4/20 0.40
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL26931558 0.88 KCNH2 (0.62) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL2738953 0.84 KCNH2 (0.69) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL8199125 0.83 KCNH2 (0.74) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL10109120 0.83 KCNH2 (0.70) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL218555 0.83 KCNH2 (0.65) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL21074687 0.82 HRH3 (0.55) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL2738955 0.82 KCNH2 (0.66) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL2738956 0.81 KCNH2 (0.62) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL26931965 0.81 HRH3 (0.53) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL219291 0.80 KCNH2 (0.63) KCNH2HRH3KDM4EALDH1A1HPGD

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 3 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-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 KCNH2 4450/4885HRH3 2575/4885KDM4E 3437/4885
US-11840549-B2 Bisphosphonate quinolone conjugates and uses thereof BPGM, PHPT1, NQO2 KCNH2 4450/4885HRH3 2575/4885KDM4E 3437/4885

“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.