SCHEMBL115684

SCHEMBL115684

Cc1cc(Br)cc(C(=O)NC2=CC(=O)C3OC3C2O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.46
KDR P35968 2/20 0.43
HSPD1 P10809 2/20 0.36
HSPE1 P61604 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 6/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
ERBB2 P04626 1/20 0.34
CYP1A2 P05177 1/20 0.34
LCK P06239 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL115782 0.82 PARK7 (0.51) PARK7KDRKDM4EMAPTHTT
SCHEMBL167099 0.81 PARK7 (0.50) PARK7KDM4EMAPTHTTMEN1
SCHEMBL666528 0.77 PARK7 (0.50) PARK7KDRKDM4EHTTMEN1
SCHEMBL666050 0.77 PARK7 (0.50) PARK7KDM4EHTTMEN1KMT2A
SCHEMBL116115 0.75 PARK7 (0.53) PARK7KDM4EPKMMAPTHTT
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.74 PARK7 (0.54) PARK7KDM4EMAPTHTTMEN1
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.74 PARK7 (0.54) PARK7KDM4EMAPTHTTMEN1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.74 PARK7 (0.54) PARK7KDM4EMAPTHTTMEN1
SCHEMBL665288 0.73 PARK7 (0.53) PARK7KDRCYP1A2P2RX1
SCHEMBL666281 0.72 PARK7 (0.55) PARK7KDM4EMAPTHTTMEN1

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 4 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-2424850-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-03-07 EP 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-2010127058-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-11-04 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 (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 PARK7 3384/4885KDR 1541/4885HSPD1 1612/4885

“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.