SCHEMBL665471

SCHEMBL665471

O=C(NC1=CC(=O)C2OC2C1O)c1ccc2ccccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.57
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPT P10636 3/20 0.46
PLG P00747 2/20 0.46
KLK1 P06870 2/20 0.46
KLK6 Q92876 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL666087 0.81 PARK7 (0.64) PARK7NPC1RAB9AMEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.80 PARK7 (0.54) PARK7P2RX1P2RX4P2RX7NPC1
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.80 PARK7 (0.54) PARK7P2RX1P2RX4P2RX7NPC1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.80 PARK7 (0.54) PARK7P2RX1P2RX4P2RX7NPC1
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.80 PARK7 (0.54) PARK7P2RX1P2RX4P2RX7NPC1
SCHEMBL665288 0.79 PARK7 (0.53) PARK7P2RX1P2RX4P2RX7KLK1
SCHEMBL115782 0.79 PARK7 (0.51) PARK7P2RX1NPC1RAB9AMEN1
SCHEMBL666528 0.75 PARK7 (0.50) PARK7NPC1RAB9AMEN1KMT2A
SCHEMBL666669 0.73 PARK7 (0.53) PARK7P2RX1P2RX4P2RX7NPC1
SCHEMBL116115 0.73 PARK7 (0.53) PARK7NPC1RAB9AMEN1KMT2A

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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US claimed
EP-2443103-A1 OXABICYCLO [4.1.O]HEPT-B-EN-S-YLCARBAMOYL DERIVATIVES INHIBITING THE NUCLEAR FACTOR-KAPPA(B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-04-25 EP disclosed
US-20120088827-A1 Oxabicyclo[4.1.0]Hept-B-en-S-yl Carbamoyl Derivatives Inhibiting The Nuclear Factor-Kappa (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2012-04-12 US disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010148042-A1 OXABICYCLO [4.1.O]HEPT-B-EN-S-YLCARBAMOYL DERIVATIVES INHIBITING THE NUCLEAR FACTOR-KAPPA(B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-12-23 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 (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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 PARK7 3384/4885P2RX1 855/4885P2RX3 1141/4885
US-20120088827-A1 Oxabicyclo[4.1.0]Hept-B-en-S-yl Carbamoyl Derivatives Inhibiting The Nuclear Factor-Kappa (B) - (NF-KB) NFKBIA, NFRKB, IKBKB PARK7 3595/4885P2RX1 4295/4885P2RX3 4501/4885

“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.