SCHEMBL5163561

SCHEMBL5163561

O=C(c1cccnc1)c1cnoc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLOD2 O00469 2/20 0.45
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
HIF1A Q16665 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
SCHEMBL1242243 0.83 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL29915528 0.83 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL1024586 0.82 ALDH1A1 (0.56) ALDH1A1LMNATDP1HTTMEN1
Hydrochloric Acid SCHEMBL27841975 0.81 ALDH1A1 (0.68) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL125431 0.77 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL30706508 0.77 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
Bicarbonate SCHEMBL29556909 0.76 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL18228407 0.76 MEN1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
Hydrochloric Acid SCHEMBL27691744 0.76 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL5728614 0.75 ALDH1A1 (0.55) ALDH1A1APPGAAHCAR3HCAR2

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
EP-1758896-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2007-03-07 EP disclosed
WO-2005123726-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-12-29 WO disclosed
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2005-12-22 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-20050282707-A1 Pyridinylisoxazoles and their use as herbicides PRDX1, CYP4X1, PRDX4 ALDH1A1 238/4885APP 4072/4885GAA 2629/4885

“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.