SCHEMBL5030284

SCHEMBL5030284

CCC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA12 O43570 1/20 0.64
CA9 Q16790 1/20 0.64
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.59

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
SCHEMBL1820807 0.90 CA12 (0.69) KMT2AMEN1CA1CA2CA12
SCHEMBL6490406 0.86 CA1 (0.68) KMT2AMEN1CA1CA2CA12
SCHEMBL5192269 0.84 KMT2A (0.74) KMT2AMEN1CA1CA2CA12
SCHEMBL4022887 0.84 KMT2A (0.87) KMT2AMEN1CA1CA2CA12
SCHEMBL3348400 0.84 CA1 (0.69) KMT2AMEN1CA1CA2CA12
SCHEMBL248400 0.84 CA1 (0.79) KMT2AMEN1CA1CA2CA12
SCHEMBL9051137 0.84 CA1 (0.69) KMT2AMEN1CA1CA2CA12
SCHEMBL30738251 0.84 CA1 (0.79) KMT2AMEN1CA1CA2CA12
SCHEMBL6484083 0.84 KMT2A (0.62) KMT2AMEN1CA1CA2CA12
SCHEMBL23392535 0.83 MAPT (0.77) KMT2AMEN1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064714-A1 Novel Pyrrolodihydroisoquinolines NYCOMED GMBH (DE) 2008-03-13 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-20080064714-A1 Novel Pyrrolodihydroisoquinolines MKI67, BAD, BAX KMT2A 1708/4885MEN1 3740/4885CA1 4718/4885

“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.