SCHEMBL212368

SCHEMBL212368

Cn1cnc2cc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC3 O15379 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 1/20 0.57
GFER P55789 2/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL210466 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2NPC1
SCHEMBL211488 0.85 HDAC1 (0.61) HDAC1HDAC2HDAC3NCOR2NPC1
SCHEMBL210309 0.83 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8280032 0.82 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR2
SCHEMBL211755 0.82 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2
SCHEMBL210545 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2
SCHEMBL13713606 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2
SCHEMBL212384 0.80 NPC1 (0.71) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL209922 0.80 HDAC1 (0.60) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1078343 0.80 HDAC1 (0.57) HDAC1HDAC2HDAC3NCOR2

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 11 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
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 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885HDAC3 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.