SCHEMBL18123765

SCHEMBL18123765

CC(=O)c1cc2c(OC(=O)NCCN)c3ccccc3c(OC(=O)NCCN)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.37
MAPT P10636 3/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
LMNA P02545 3/20 0.34
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL18123703 0.93 NCEH1 (0.40) NCEH1MAPTRECQLKDM4EKMT2A
SCHEMBL20816208 0.86 PDE4A (0.36) NCEH1MAPTRECQLKDM4EKMT2A
SCHEMBL18123767 0.86 NCEH1 (0.38) NCEH1MAPTRECQLKDM4EKMT2A
SCHEMBL20089224 0.86 NCEH1 (0.36) NCEH1MAPTRECQLKDM4EKMT2A
Hydrochloric Acid SCHEMBL29880000 0.85 NCEH1 (0.38) NCEH1MAPTRECQLKDM4EKMT2A
Hydrochloric Acid SCHEMBL29880435 0.85 NCEH1 (0.35) NCEH1MAPTRECQLKDM4EKMT2A
SCHEMBL18123700 0.84 NCEH1 (0.34) NCEH1MAPTRECQLKDM4EKMT2A
SCHEMBL29879818 0.84 NCEH1 (0.34) NCEH1MAPTRECQLKDM4EKMT2A
SCHEMBL18123706 0.84 SLC1A3 (0.35) NCEH1MAPTRECQLKDM4EKMT2A
Hydrochloric Acid SCHEMBL22772349 0.84 NCEH1 (0.34) NCEH1MAPTRECQLKDM4EKMT2A

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 NCEH1 966/4885MAPT 4840/4885RECQL 1090/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B NCEH1 1245/4885MAPT 4595/4885RECQL 2634/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 NCEH1 966/4885MAPT 4840/4885RECQL 1090/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 NCEH1 966/4885MAPT 4840/4885RECQL 1090/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 NCEH1 966/4885MAPT 4840/4885RECQL 1090/4885

“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.