SCHEMBL213224

SCHEMBL213224

N#Cc1ccc(C2CCN(C(=O)Cc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.60
HDAC2 Q92769 7/20 0.60
HDAC3 O15379 5/20 0.60
HDAC4 P56524 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
KDM1A O60341 3/20 0.57
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PANK3 Q9H999 1/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL2759525 0.80 KDM1A (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL212370 0.79 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL209679 0.79 KDM1A (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL210905 0.78 KDM1A (0.67) HDAC1HDAC2KDM1ACYP3A4CYP2D6
SCHEMBL2833658 0.78 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3753090 0.77 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL213223 0.76 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2831810 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30864182 0.75 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2828468 0.75 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7

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-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

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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885

“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.