SCHEMBL4734760

SCHEMBL4734760

CC(C)c1ccncc1C(=O)C=CN(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.42
LATS1 O95835 1/20 0.41
MAPT P10636 9/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 7/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL14041892 1.00 HTT (0.54) HTTRECQLTDP1LATS1MAPT
SCHEMBL4736633 0.80 HTT (0.58) HTTRECQLTDP1LATS1MAPT
SCHEMBL14041605 0.80 HTT (0.58) HTTRECQLTDP1LATS1MAPT
SCHEMBL4735149 0.78 HTT (0.55) HTTRECQLTDP1LATS1MAPT
SCHEMBL14041607 0.78 HTT (0.55) HTTRECQLTDP1LATS1MAPT
SCHEMBL6363704 0.77 HTT (0.58) HTTRECQLTDP1LATS1MAPT
SCHEMBL16845783 0.77 HTT (0.58) HTTRECQLTDP1LATS1MAPT
SCHEMBL18776140 0.76 CYP3A4 (0.44) TDP1SMN1; SMN2CYP2C19HSP90AA1
SCHEMBL8681876 0.76 HTT (0.57) HTTRECQLTDP1LATS1MAPT
SCHEMBL8681874 0.76 HTT (0.57) HTTRECQLTDP1LATS1MAPT

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 1933/4885TDP1 4058/4885

“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.