SCHEMBL1863751

SCHEMBL1863751

CCCCCCC(=O)CC(=O)Nc1ccnn1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CTSK P43235 2/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
SOAT2 O75908 2/20 0.40
SOAT1 P35610 2/20 0.40
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL1867068 1.00 POLB (0.46) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL1858809 0.90 POLB (0.51) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL1869411 0.85 CTSK (0.44) POLBCTSKLMNASOAT2SOAT1
SCHEMBL1863235 0.85 CTSK (0.44) POLBCTSKLMNASOAT2SOAT1
SCHEMBL30516912 0.84 POLB (0.51) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL13678948 0.84 CTSK (0.42) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL12630078 0.83 POLB (0.52) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL4138545 0.83 KMT2A (0.48) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL4124902 0.79 POLB (0.44) POLBHSP90AA1HSP90AB1CTSKKMT2A
SCHEMBL1861766 0.78 KMT2A (0.51) KMT2ASOAT2SOAT1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 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 (3 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-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 POLB 3327/4885HSP90AA1 2488/4885HSP90AB1 2359/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 POLB 3349/4885HSP90AA1 2491/4885HSP90AB1 2369/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 POLB 3327/4885HSP90AA1 2488/4885HSP90AB1 2359/4885

“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.