SCHEMBL13853278

SCHEMBL13853278

O=c1[nH]c2nc(C(F)(F)F)ccc2c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.41
F2 P00734 1/20 0.39
CFD P00746 1/20 0.39
C1R P00736 3/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
MAT2A P31153 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL6921298 0.76 ADORA2A (0.44) ELANEF2CFDC1RALDH1A1
SCHEMBL30042357 0.75 KDM4E (0.45) ELANEF2CFDC1RALDH1A1
SCHEMBL1266435 0.75 ADORA1 (0.50) F2CFDKDM4E
SCHEMBL30499843 0.73 ALDH1A1 (0.41) MAT2AALDH1A1GAAHPGDKDM4E
SCHEMBL21145512 0.70 ADORA2A (0.57) MAT2AALDH1A1GAAKDM4E
SCHEMBL30611217 0.70 ALDH1A1 (0.41) ALDH1A1GAAHPGDKDM4E
SCHEMBL29110299 0.70 ALDH1A1 (0.41) ALDH1A1GAAHPGDKDM4E
SCHEMBL29569871 0.69 MAT2A (0.49) MAT2AALDH1A1GAAHPGDKDM4E
SCHEMBL30549011 0.67 HPGD (0.40) ALDH1A1GAAHPGD
SCHEMBL30039796 0.67 HPGD (0.40) ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK ELANE 4732/4885F2 1287/4885CFD 4686/4885

“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.