SCHEMBL7529918

SCHEMBL7529918

O=C(OCc1ccccc1)N1CCc2c(ncn2OC(=O)C(F)(F)F)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
PARP1 P09874 1/20 0.36

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
SCHEMBL7525099 0.87 ESR1 (0.36)
SCHEMBL7532232 0.86 PDK1 (0.40) PTGDR2PDK1PDK2PDK3PDK4
SCHEMBL7528877 0.85 PDK1 (0.39) PTGDR2PDK1PDK2PDK3PDK4
SCHEMBL7530828 0.82 MEN1 (0.39) PTGDR2
Trifluoroacetic Acid SCHEMBL7529917 0.76 AOC3 (0.52) PTGDR2PDK1PDK2PDK3PDK4
SCHEMBL6421441 0.74 FKBP1A (0.37) PTGDR2PDK1PDK2PDK3PDK4
SCHEMBL29906748 0.72 PARP1 (0.49) PARP1
SCHEMBL11474322 0.71 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4PARP1
SCHEMBL7527042 0.70 KMT2A (0.39)
SCHEMBL7530149 0.69 P2RX7 (0.38)

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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans BIOVITRUM AB (SE) 2002-12-26 US disclosed
WO-2002038153-A1 NEW USE OF 4, 5, 6, 7-TETRAHYDROIMIDAZO-[4,5-C]PYRIDINE DERIVATIVES BIOVITRUM AB (SE) 2002-05-16 WO 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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans AOC3, AOC2, AOC1 PTGDR2 887/4885PDK1 2180/4885PDK2 1362/4885

“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.