SCHEMBL4736633

SCHEMBL4736633

Cc1ccncc1C(=O)C=CN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
TDP1 Q9NUW8 3/20 0.53
SIRT3 Q9NTG7 1/20 0.53
POLB P06746 3/20 0.47
RECQL P46063 2/20 0.45
GAA P10253 2/20 0.44
LATS1 O95835 1/20 0.43
MAPT P10636 7/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14041605 1.00 HTT (0.58) HTTTDP1SIRT3POLBRECQL
SCHEMBL16845783 0.87 HTT (0.58) HTTTDP1SIRT3POLBRECQL
SCHEMBL6363704 0.87 HTT (0.58) HTTTDP1SIRT3POLBRECQL
SCHEMBL4735149 0.81 HTT (0.55) HTTTDP1POLBRECQLGAA
SCHEMBL14041607 0.81 HTT (0.55) HTTTDP1POLBRECQLGAA
SCHEMBL14041892 0.80 HTT (0.54) HTTTDP1POLBRECQLGAA
SCHEMBL4734760 0.80 HTT (0.54) HTTTDP1POLBRECQLGAA
SCHEMBL8681876 0.79 HTT (0.57) HTTTDP1POLBRECQLGAA
SCHEMBL8681874 0.79 HTT (0.57) HTTTDP1POLBRECQLGAA
SCHEMBL1652394 0.79 HTT (0.53) HTTTDP1POLBRECQLGAA

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-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 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 (1 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-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS DKK1, HPN, OSBP2 HTT 4052/4885TDP1 4058/4885SIRT3 4743/4885

“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.