SCHEMBL666185

SCHEMBL666185

O=C(NC1=CC(=O)C2OC2C1O)c1cc(Cl)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 12/20 0.51
TMPRSS4 Q9NRS4 6/20 0.51
P2RX4 Q99571 5/20 0.51
P2RX7 Q99572 5/20 0.51
PARK7 Q99497 1/20 0.50
KCNMA1 Q12791 5/20 0.49
MEN1 O00255 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
KMT2A Q03164 1/20 0.45
MYLK Q15746 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
SLC2A1 P11166 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
SCHEMBL665039 0.91 PARK7 (0.50) P2RX1TMPRSS4P2RX4P2RX7PARK7
SCHEMBL665474 0.88 PARK7 (0.49) P2RX1TMPRSS4P2RX4P2RX7PARK7
SCHEMBL666669 0.88 PARK7 (0.53) P2RX1TMPRSS4P2RX4P2RX7PARK7
SCHEMBL167099 0.86 PARK7 (0.50) P2RX1TMPRSS4PARK7MEN1KMT2A
SCHEMBL666050 0.86 PARK7 (0.50) P2RX1TMPRSS4PARK7KCNMA1MEN1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.84 PARK7 (0.54) P2RX1P2RX4P2RX7PARK7KCNMA1
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.84 PARK7 (0.54) P2RX1P2RX4P2RX7PARK7KCNMA1
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.84 PARK7 (0.54) P2RX1P2RX4P2RX7PARK7KCNMA1
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.84 PARK7 (0.54) P2RX1P2RX4P2RX7PARK7KCNMA1
SCHEMBL666087 0.82 PARK7 (0.64) PARK7MEN1KMT2A

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 2 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
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 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 (1 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 P2RX1 855/4885TMPRSS4 2798/4885P2RX4 1080/4885

“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.