SCHEMBL940642

SCHEMBL940642

O=C(O)c1cc(CCCOCc2ccccc2)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FOLH1 Q04609 1/20 0.43
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SPHK1 Q9NYA1 2/20 0.39
HNF4A P41235 1/20 0.39
KAT8 Q9H7Z6 2/20 0.39

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
SCHEMBL940728 0.84 ALDH1A1 (0.53) FFAR1TDP1L3MBTL1FOLH1LMNA
SCHEMBL23908388 0.79 ALDH1A1 (0.49) FFAR1FOLH1ALDH1A1HTTSMN1; SMN2
SCHEMBL30722451 0.77 ALDH1A1 (0.47) FFAR1FOLH1ALDH1A1HTTSMN1; SMN2
SCHEMBL29167354 0.77 ALDH1A1 (0.47) FFAR1FOLH1ALDH1A1HTTSMN1; SMN2
SCHEMBL12913003 0.76 TDP1 (0.45) TDP1L3MBTL1LMNAALDH1A1HTT
SCHEMBL27673045 0.76 ALDH1A1 (0.49) TDP1L3MBTL1LMNAALDH1A1HTT
SCHEMBL10598359 0.75 KAT8 (0.60) TDP1L3MBTL1LMNAALDH1A1KAT8
SCHEMBL29687321 0.75 KAT8 (0.45) ALDH1A1HNF4AKAT8
SCHEMBL23092123 0.75 KAT8 (0.45) ALDH1A1HNF4AKAT8
SCHEMBL13715184 0.75 HNF4A (0.67) LMNAALDH1A1HNF4A

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 9 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-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 US 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
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 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 FFAR1 4858/4885TDP1 2701/4885L3MBTL1 1781/4885

“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.