SCHEMBL3046296

SCHEMBL3046296

COc1cc(OC)cc(C(=O)N(C)C(CC(N)=O)Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
TNF P01375 1/20 0.42
ATM Q13315 1/20 0.42
HTR1A P08908 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
LPAR1 Q92633 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3055732 1.00 TACR1 (0.44) TACR1TNFATMHTR1AGAA
SCHEMBL3048360 0.92 CYP3A4 (0.39) TACR1TNFATMHTR1APPARG
SCHEMBL3062581 0.92 F2 (0.41) TACR1TNFATMHTR1APPARG
SCHEMBL3062715 0.92 F2 (0.41) TACR1TNFATMHTR1APPARG
SCHEMBL3048342 0.92 CYP3A4 (0.39) TACR1TNFATMHTR1APPARG
SCHEMBL3058113 0.91 HCRTR1 (0.47) HTR1AHCRTR1HCRTR2L3MBTL1MEN1
SCHEMBL3049767 0.91 HCRTR1 (0.47) HTR1AHCRTR1HCRTR2L3MBTL1MEN1
SCHEMBL3057212 0.89 ACHE (0.48) ATMHTR1AMAPTPPARGPPARA
SCHEMBL3049985 0.89 ACHE (0.48) ATMHTR1AMAPTPPARGPPARA
SCHEMBL3040824 0.88 HCRTR1 (0.49) GAAHCRTR1HCRTR2L3MBTL1MEN1

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-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

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 TACR1 1055/4885TNF 1789/4885ATM 4742/4885

“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.