SCHEMBL3054643

SCHEMBL3054643

COc1ccc(C(=O)N(C)C(CC(N)=O)Cc2ccccc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
BCHE P06276 4/20 0.51
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 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
SCHEMBL3057121 1.00 ACHE (0.51) ACHEBCHEHTTNPC1RAB9A
SCHEMBL3054645 0.87 ACHE (0.50) ACHEBCHEHTTNPC1RAB9A
SCHEMBL3057126 0.87 ACHE (0.50) ACHEBCHEHTTNPC1RAB9A
SCHEMBL3057212 0.86 ACHE (0.48) ACHEHTTNPC1RAB9AKMT2A
SCHEMBL3049985 0.86 ACHE (0.48) ACHEHTTNPC1RAB9AKMT2A
SCHEMBL3058113 0.85 HCRTR1 (0.47) NPC1RAB9AKMT2AL3MBTL1
SCHEMBL3049767 0.85 HCRTR1 (0.47) NPC1RAB9AKMT2AL3MBTL1
SCHEMBL3055732 0.85 TACR1 (0.44) KMT2AL3MBTL1MAPT
SCHEMBL3046296 0.85 TACR1 (0.44) KMT2AL3MBTL1MAPT
SCHEMBL3058401 0.84 HTR1A (0.44) LMNAKMT2AL3MBTL1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 ACHE 868/4885BCHE 1062/4885HTT 2503/4885

“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.