SCHEMBL4736050

SCHEMBL4736050

CN(C)C=CC(=O)c1ccc(-c2ccncc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
RECQL P46063 2/20 0.44
MAPT P10636 10/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
LATS1 O95835 1/20 0.43
HIF1A Q16665 1/20 0.42
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL4782035 0.87 RECQL (0.57) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL14114316 0.77 HTT (0.60) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL11365001 0.77 RECQL (0.50) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL11365005 0.77 RECQL (0.50) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL25323807 0.76 CYP1A2 (0.58) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL15709976 0.75 RECQL (0.61) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL1425 0.75 RECQL (0.61) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL1424 0.75 RECQL (0.61) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL212317 0.75 HTT (0.53) HTTRECQLMAPTRAB9AALDH1A1
SCHEMBL4262480 0.75 HTT (0.53) HTTRECQLMAPTRAB9AALDH1A1

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 4052/4885RECQL 1933/4885MAPT 3980/4885

“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.