SCHEMBL3049985

SCHEMBL3049985

COc1ccc(C(=O)N(C)C(CC(N)=O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3057212 1.00 ACHE (0.48) ACHEPPARGPPARANPC1RAB9A
SCHEMBL3046296 0.89 TACR1 (0.44) PPARGPPARALPAR1L3MBTL1HTR1A
SCHEMBL3055732 0.89 TACR1 (0.44) PPARGPPARALPAR1L3MBTL1HTR1A
SCHEMBL3059936 0.88 HTR1A (0.44) HPGDL3MBTL1HTR1AALDH1A1MEN1
SCHEMBL3045269 0.88 HTR1A (0.44) HPGDL3MBTL1HTR1AALDH1A1MEN1
SCHEMBL3058401 0.88 HTR1A (0.44) HPGDL3MBTL1HTR1AALDH1A1MEN1
SCHEMBL3049767 0.87 HCRTR1 (0.47) NPC1RAB9AL3MBTL1HTR1AMEN1
SCHEMBL3058113 0.87 HCRTR1 (0.47) NPC1RAB9AL3MBTL1HTR1AMEN1
SCHEMBL3054643 0.86 ACHE (0.51) ACHENPC1RAB9AHPGDL3MBTL1
SCHEMBL3057121 0.86 ACHE (0.51) ACHENPC1RAB9AHPGDL3MBTL1

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
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO 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 ACHE 868/4885PPARG 789/4885PPARA 495/4885

“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.