SCHEMBL3590477

SCHEMBL3590477

CC(=O)Cn1cc2nc(Br)c(Br)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3591496 0.83 PDE4D (0.36) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL3587065 0.77 IRAK4 (0.36) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL202906 0.76 RAB9A (0.35) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL2366240 0.72 PDE4D (0.35) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL9927895 0.71 PDE4D (0.42) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL13692145 0.70 EPHX2 (0.45) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL204455 0.70 TDP1 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2PDE4D
SCHEMBL2366437 0.70 NPC1 (0.38) EPHX2NPC1ALDH1A1MITFS1PR4
SCHEMBL13216653 0.68 KLKB1 (0.41) ALDH1A1IRAK4KDM4E
SCHEMBL203640 0.68 NPC1 (0.36) EPHX2NPC1ALDH1A1MITFS1PR4

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 EPHX2 199/4885NPC1 3902/4885ALDH1A1 1144/4885

“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.