SCHEMBL3049987

SCHEMBL3049987

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ACHE P22303 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HTR1A P08908 1/20 0.46
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 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
LDHA P00338 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
SCHEMBL3057216 1.00 ALDH1A1 (0.52) ALDH1A1ACHEPPARGPPARAHTR1A
SCHEMBL3055734 0.89 ALDH1A1 (0.45) ALDH1A1PPARGPPARAHTR1ALPAR1
SCHEMBL3046297 0.89 ALDH1A1 (0.45) ALDH1A1PPARGPPARAHTR1ALPAR1
SCHEMBL3045271 0.88 HTR1A (0.47) ALDH1A1HTR1AHPGDMEN1KMT2A
SCHEMBL3059938 0.88 HTR1A (0.47) ALDH1A1HTR1AHPGDMEN1KMT2A
SCHEMBL3058403 0.88 HTR1A (0.47) ALDH1A1HTR1AHPGDMEN1KMT2A
SCHEMBL2013190 0.87 HCRTR1 (0.52) ALDH1A1HTR1ANPC1RAB9AMEN1
SCHEMBL3049769 0.87 HCRTR1 (0.52) ALDH1A1HTR1ANPC1RAB9AMEN1
SCHEMBL3057212 0.85 ACHE (0.48) ALDH1A1ACHEPPARGPPARAHTR1A
SCHEMBL3049985 0.85 ACHE (0.48) ALDH1A1ACHEPPARGPPARAHTR1A

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 ALDH1A1 15/4885ACHE 868/4885PPARG 789/4885

“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.