SCHEMBL209679

SCHEMBL209679

Nc1ccccc1NC(=O)c1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.63
HDAC2 Q92769 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TACR3 P29371 1/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
HDAC1 Q13547 6/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55

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
SCHEMBL212370 0.83 HDAC1 (0.57) KDM1AHDAC2HDAC1HDAC3HDAC4
SCHEMBL2759525 0.82 KDM1A (0.56) KDM1AHDAC2HDAC1HDAC3HDAC4
SCHEMBL20304872 0.82 SMN1; SMN2 (0.60) KDM1AHDAC2SMN1; SMN2MEN1LMNA
SCHEMBL20333308 0.81 HDAC1 (0.60) KDM1AHDAC2HDAC1HDAC3HDAC8
SCHEMBL210905 0.81 KDM1A (0.67) KDM1AHDAC2SMN1; SMN2HDAC1
SCHEMBL23682656 0.80 TACR3 (0.83) HDAC2TACR3MEN1LMNAKMT2A
SCHEMBL213224 0.79 HDAC1 (0.60) KDM1AHDAC2HDAC1HDAC3HDAC4
SCHEMBL20305002 0.78 HDAC1 (0.56) KDM1AHDAC2SMN1; SMN2MEN1LMNA
SCHEMBL19609244 0.78 KDM1A (1.00) KDM1AHDAC6
SCHEMBL211060 0.77 HDAC1 (0.57) KDM1AHDAC2HDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KDM1A 43/4885HDAC2 10/4885SMN1; SMN2 3557/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KDM1A 86/4885HDAC2 12/4885SMN1; SMN2 2705/4885

“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.