SCHEMBL18123713

SCHEMBL18123713

BNC(=O)Oc1c2ccccc2c(OC(=O)NB)c2oc(C(C)=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 3/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
STAT3 P40763 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL18123831 0.91 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123592 0.91 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12493926 0.85 MAPT (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123828 0.83 LMNA (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123765 0.82 NCEH1 (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL12494851 0.80 LMNA (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17145346 0.80 KLKB1 (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL20816208 0.80 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123703 0.80 NCEH1 (0.40) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL12525445 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
WO-2016157052-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2016-10-06 WO 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 (5 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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 PDE4A 2306/4885PDE4B 1848/4885PDE4C 2090/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B PDE4A 1879/4885PDE4B 1563/4885PDE4C 1886/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 PDE4A 2306/4885PDE4B 1848/4885PDE4C 2090/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 PDE4A 2306/4885PDE4B 1848/4885PDE4C 2090/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 PDE4A 2306/4885PDE4B 1848/4885PDE4C 2090/4885

“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.