SCHEMBL3604719

SCHEMBL3604719

CC(=O)Cn1cc2cc(Br)cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
S1PR4 O95977 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PAK4 O96013 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
RECQL P46063 1/20 0.32
CUL4A Q13619 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21584877 0.80 HDAC8 (0.40) HDAC8ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL202906 0.78 RAB9A (0.35) HDAC8ALDH1A1SMN1; SMN2NPC1MITF
SCHEMBL31752587 0.77 HDAC8 (0.41) HDAC8SMN1; SMN2PAK4DYRK1APDE4D
SCHEMBL27005997 0.77 HDAC8 (0.39) HDAC8ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2366240 0.73 PDE4D (0.35) ALDH1A1SMN1; SMN2NPC1MITFS1PR4
SCHEMBL16536093 0.72 DGAT1 (0.39) HDAC8ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL22001420 0.71 PAK4 (0.46) HDAC8ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3590000 0.70 HDAC8 (0.34) HDAC8ALDH1A1SMN1; SMN2
SCHEMBL3604658 0.69 RAB9A (0.48) HDAC8ALDH1A1SMN1; SMN2NPC1MITF
SCHEMBL16437820 0.67 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1MITFS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
WO-2010056999-A9 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2018-06-07 WO disclosed
EP-3050874-A1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS Merial, Inc. (US) 2016-08-03 EP disclosed
EP-2364301-B1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LTD (US) 2015-09-02 EP disclosed
US-8461176-B2 Enantiomerically enriched aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2013-06-11 US disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 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-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 HDAC8 2740/4885ALDH1A1 1144/4885SMN1; SMN2 4104/4885

“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.