SCHEMBL5559654

SCHEMBL5559654

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc2cccc(OCCN3CCOCC3)c2o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.54
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK14 Q16539 5/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL5563050 0.93 RXFP1 (0.45) RXFP1DRD2DRD3KMT2ANPC1
SCHEMBL5564192 0.92 RXFP1 (0.46) RXFP1DRD2DRD3KMT2ANPC1
SCHEMBL5564059 0.85 NPC1 (0.47) RXFP1DRD2DRD3KMT2ANPC1
SCHEMBL5565724 0.83 NPC1 (0.44) RXFP1DRD2DRD3KMT2ANPC1
SCHEMBL5564847 0.83 RXFP1 (0.44) RXFP1NPC1CNR2KDM4EALDH1A1
SCHEMBL5564958 0.82 RXFP1 (0.45) RXFP1DRD2DRD3NPC1POLB
SCHEMBL5563555 0.81 RAB9A (0.44) RXFP1KMT2ANPC1POLBMEN1
SCHEMBL5566157 0.81 RAB9A (0.41) KMT2ANPC1POLBMEN1CNR2
SCHEMBL5564644 0.80 NPC1 (0.40) NPC1CNR2KDM4EALDH1A1
SCHEMBL6445501 0.80 HSP90AA1 (0.41) RXFP1DRD2DRD3KMT2ANPC1

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-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 RXFP1 2974/4885DRD2 2819/4885DRD3 2984/4885

“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.