SCHEMBL3381865

SCHEMBL3381865

Nc1ccccc1N1C(=O)CCCCCC(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
SCN2A Q99250 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
HSPA1A P0DMV8 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP6 P55212 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3382926 1.00 KMT2A (0.56) KMT2AMEN1SCN2AKEAP1CYP3A4
SCHEMBL3380658 1.00 KMT2A (0.56) KMT2AMEN1SCN2AKEAP1CYP3A4
SCHEMBL3379556 0.82 KMT2A (0.39) KMT2AMEN1SCN2AKEAP1CYP3A4
SCHEMBL3381978 0.82 KMT2A (0.42) KMT2AMEN1SCN2AKEAP1CYP3A4
SCHEMBL23043603 0.79 POLB (0.53) KMT2AMEN1KEAP1CASP6TDP1
SCHEMBL29978713 0.79 POLB (0.53) KMT2AMEN1KEAP1CASP6TDP1
SCHEMBL885606 0.79 SCN2A (0.57) KMT2AMEN1SCN2ACYP3A4NFKB1
SCHEMBL29395615 0.79 SCN2A (0.57) KMT2AMEN1SCN2ACYP3A4NFKB1
SCHEMBL3383759 0.78 CASP6 (0.39) KMT2AMEN1SCN2AKEAP1CYP3A4
SCHEMBL3383328 0.77 S100A4 (0.37) KMT2AMEN1SCN2AKEAP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885MEN1 2635/4885SCN2A 3707/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KMT2A 52/4885MEN1 2635/4885SCN2A 3707/4885

“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.