SCHEMBL211016

SCHEMBL211016

CN(C)C=CC(=O)c1cnnn1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
RECQL P46063 2/20 0.42
MAPT P10636 10/20 0.40
RAB9A P51151 5/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL211015 1.00 HTT (0.44) HTTRECQLMAPTRAB9ALMNA
SCHEMBL6103800 0.73 HTT (0.47) HTTRECQLMAPTRAB9ALMNA
SCHEMBL6103804 0.73 HTT (0.47) HTTRECQLMAPTRAB9ALMNA
SCHEMBL5098850 0.72 HTT (0.42) HTTRECQLMAPTRAB9ALMNA
SCHEMBL5098848 0.72 HTT (0.42) HTTRECQLMAPTRAB9ALMNA
SCHEMBL15646957 0.72 HTT (0.35) HTTMAPT
SCHEMBL263100 0.70
SCHEMBL17541003 0.70
SCHEMBL17240188 0.70 HTT (0.51) HTTRECQLMAPTRAB9ALMNA
SCHEMBL15885014 0.70 HTT (0.51) HTTRECQLMAPTRAB9ALMNA

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 4 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
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 HTT 502/4885RECQL 2024/4885MAPT 3612/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HTT 525/4885RECQL 1753/4885MAPT 3905/4885

“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.