SCHEMBL4782035

SCHEMBL4782035

CN(C)C=CC(=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
ALDH1A1 P00352 9/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
MAPT P10636 7/20 0.56
POLB P06746 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HIF1A Q16665 4/20 0.47
HSP90AA1 P07900 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4736050 0.87 HTT (0.56) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11365005 0.78 RECQL (0.50) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11365001 0.78 RECQL (0.50) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12275056 0.78 RECQL (0.79) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12275054 0.78 RECQL (0.79) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25323807 0.77 CYP1A2 (0.58) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1424 0.76 RECQL (0.61) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15709976 0.76 RECQL (0.61) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1425 0.76 RECQL (0.61) RECQLALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31276286 0.76 RECQL (0.61) RECQLALDH1A1SMN1; SMN2NPC1RAB9A

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 RECQL 1933/4885ALDH1A1 3889/4885SMN1; SMN2 4521/4885

“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.