SCHEMBL664248

SCHEMBL664248

COc1cc(N(C)C)ccc1C(=O)NC1=CC(=O)C2OC2C1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.50
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
MAPK1 P28482 4/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK14 Q16539 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL169409 0.86 PARK7 (0.48) PARK7ALDH1A1MAPTMAPK1HSD17B10
Trifluoroacetic Acid SCHEMBL168257 0.80 PARK7 (0.43) PARK7ALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL16649916 0.78 PARK7 (0.58) PARK7MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1286031 0.78 PARK7 (0.52) PARK7ALDH1A1MAPTNPC1RAB9A
SCHEMBL1286394 0.74 PARK7 (0.52) PARK7ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL664798 0.74 PARK7 (0.56) PARK7MAPTMAPK1NPC1RAB9A
SCHEMBL16650067 0.74 PARK7 (0.54) PARK7ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL353742 0.72 PARK7 (0.54) PARK7ALDH1A1MAPTHSD17B10NPC1
SCHEMBL14491794 0.72 PARK7 (0.51) PARK7ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL666050 0.71 PARK7 (0.50) PARK7HSD17B10NPC1RAB9ASMN1; SMN2

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 PARK7 3384/4885ALDH1A1 1302/4885MAPT 3911/4885

“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.