SCHEMBL940556

SCHEMBL940556

COC(=O)c1cc(CCCOCc2ccccc2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CFTR P13569 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
SPHK1 Q9NYA1 2/20 0.41

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
SCHEMBL12913003 0.88 TDP1 (0.45) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL940728 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL534046 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL21753096 0.81 KDM4E (0.46) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL24772890 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL12598054 0.79 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL4604088 0.79 ALDH1A1 (0.85) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL21577267 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL24746862 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDTSHRKDM4E
SCHEMBL17080825 0.77 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDTSHRKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776345-B1 Method of preparing N2-functionalised indazolinone derivatives UNIV ST ANDREWS (GB) 2013-02-13 EP disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 US disclosed
EP-1776345-A2 A MULTICORE INDAZOLINONE LIBRARY The University Court of the University of St. Andrews (GB) 2007-04-25 EP disclosed
WO-2005121096-A2 A MULTICORE INDAZOLINONE LIBRARY THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2005-12-22 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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 ALDH1A1 1887/4885HSD17B10 3136/4885HPGD 1187/4885

“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.