SCHEMBL1068474

SCHEMBL1068474

O=C(O)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL5350540 0.98 ESRRG (0.52) ESRRGKMT2AMEN1POLBCYP1A2
Trifluoroacetic Acid SCHEMBL1065670 0.93 EPHX2 (0.50) ESRRGKMT2AMEN1POLBCYP1A2
SCHEMBL30969317 0.86 TNIK (0.51) ESRRGKMT2AMEN1POLBCYP1A2
SCHEMBL4844468 0.85 EPHX2 (0.56) EPHX2ALDH1A1CSNK2A1HPGDCNR1
SCHEMBL6154983 0.84 TNIK (0.49) ESRRGKMT2AMEN1POLBCYP1A2
SCHEMBL27539586 0.80 ACP1 (0.51) ESRRGCYP1A2CYP2D6CYP2C9ESR1
SCHEMBL8673780 0.80 POLB (0.59) ESRRGKMT2AMEN1POLBALDH1A1
SCHEMBL8291394 0.79 NPSR1 (0.51) ESRRGKMT2AMEN1POLBCYP1A2
Hydrochloric Acid SCHEMBL7564499 0.79 POLB (0.56) KMT2AMEN1POLBCYP1A2CYP2D6
SCHEMBL4234186 0.79 ALDH1A1 (0.76) KMT2AMEN1POLBALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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 (2 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ESRRG 2943/4885KMT2A 52/4885MEN1 2635/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ESRRG 957/4885KMT2A 3436/4885MEN1 2447/4885

“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.