SCHEMBL209647

SCHEMBL209647

Nc1ccccc1NC(=O)c1ccc(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.58
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PTGS1 P23219 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNH2 Q12809 1/20 0.51
NAMPT P43490 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL211385 0.86 MAPT (0.63) HDAC1LMNAHTTMAPTSMN1; SMN2
SCHEMBL2733603 0.85 KDM4E (0.62) HDAC1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL211060 0.81 HDAC1 (0.57) HDAC1HTTKCNH2KDM1A
SCHEMBL3771268 0.80 MAPT (0.58) HDAC1LMNAHTTMAPTSMN1; SMN2
SCHEMBL3765429 0.78 SMN1; SMN2 (0.52) HDAC1LMNAHTTMAPTSMN1; SMN2
SCHEMBL212370 0.77 HDAC1 (0.57) HDAC1KDM1A
SCHEMBL2759525 0.76 KDM1A (0.56) HDAC1KDM1A
SCHEMBL210444 0.74 HDAC1 (0.71) HDAC1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8161162 0.74 HDAC1 (0.70) HDAC1KCNH2
SCHEMBL1639117 0.74 HDAC1 (0.67) HDAC1KCNH2CYP2C9

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 HDAC1 1/4885LMNA 1962/4885HTT 502/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885LMNA 1851/4885HTT 525/4885

“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.