SCHEMBL5520874

SCHEMBL5520874

CN(C)c1ccc(C=Cc2nc3ccc(O)cc3o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.61
PTGS1 P23219 1/20 0.50
STS P08842 1/20 0.44
INSR P06213 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 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
SCHEMBL5520870 1.00 APP (0.61) APPPTGS1STSINSRMAOA
SCHEMBL11136663 0.89 INSR (0.51) APPINSRATP4AATP4BMEN1
SCHEMBL11136666 0.89 INSR (0.51) APPINSRATP4AATP4BMEN1
SCHEMBL6531891 0.84 APP (0.61) APPINSRATP4AATP4BMEN1
SCHEMBL30446042 0.84 APP (0.61) APPINSRATP4AATP4BMEN1
SCHEMBL29788323 0.82 APP (0.56) APPSTSATP4AATP4BMEN1
SCHEMBL29397958 0.81 MEN1 (0.59) APPINSRATP4AATP4BMEN1
SCHEMBL476616 0.81 MEN1 (0.59) APPINSRATP4AATP4BMEN1
SCHEMBL476617 0.81 MEN1 (0.59) APPINSRATP4AATP4BMEN1
SCHEMBL6492845 0.79 INSR (0.47) APPINSRATP4AATP4BMEN1

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
EP-2944626-B1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE UNIV SHIGA MEDICAL SCIENCE (JP) 2018-10-10 EP disclosed
US-20150352232-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE SHIGA UNIVERSITY OF MEDICAL SCIENCE (JP) 2015-12-10 US disclosed
EP-2944626-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE Shiga University Of Medical Science (JP) 2015-11-18 EP disclosed
US-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-08 US 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 (2 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-20150352232-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE TARDBP, FUS, SNCA APP 19/4885PTGS1 4566/4885STS 4823/4885
US-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents EGFR, LANCL1, FLT1 APP 4458/4885PTGS1 1652/4885STS 3068/4885

“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.