SCHEMBL210892

SCHEMBL210892

Nc1ccccc1NC(=O)c1ccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
HDAC1 Q13547 13/20 0.57
HDAC3 O15379 7/20 0.57
HDAC8 Q9BY41 6/20 0.57
HDAC4 P56524 5/20 0.57
HDAC7 Q8WUI4 5/20 0.57
HDAC2 Q92769 5/20 0.57
HDAC10 Q969S8 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC6 Q9UBN7 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
HDAC5 Q9UQL6 5/20 0.57
KCNH2 Q12809 3/20 0.50
JAK2 O60674 1/20 0.50
FLT3 P36888 1/20 0.49
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48
NCOR1 O75376 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL211385 0.86 MAPT (0.63) PTGS1HDAC1HDAC3HDAC8HDAC4
SCHEMBL211403 0.79 ADRB1 (0.56) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14108040 0.78 PTGS1 (0.67) PTGS1HDAC1HDAC3HDAC8HDAC4
SCHEMBL8077840 0.76 HDAC1 (0.80) PTGS1HDAC1HDAC3HDAC8HDAC4
SCHEMBL2830015 0.75 HDAC1 (0.74) HDAC1HDAC3HDAC8HDAC4HDAC7
SCHEMBL8268732 0.74 PTGS1 (0.56) PTGS1HDAC1HDAC3HDAC8HDAC4
SCHEMBL4898506 0.74 PTGS1 (0.57) PTGS1HDAC1HDAC3HDAC8HDAC4
SCHEMBL1064411 0.74 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC4HDAC7
SCHEMBL29809952 0.73 TP53 (0.52) TP53GAAALDH1A1MAPTHPGD
SCHEMBL28845694 0.73 TP53 (0.52) TP53GAAALDH1A1MAPTHPGD

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 6 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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PTGS1 2062/4885HDAC1 1/4885HDAC3 4/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PTGS1 1873/4885HDAC1 1/4885HDAC3 5/4885

“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.