SCHEMBL7768853

SCHEMBL7768853

COc1ccc(CNCCNCc2ccc(OC)cc2OC)c(OC)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.86
HTR2A P28223 2/20 0.68
HTR2C P28335 2/20 0.68
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL783785 0.92 APLNR (1.00) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL18256578 0.91 APLNR (0.77) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL29580030 0.90 APLNR (0.75) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL31114343 0.90 APLNR (0.75) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL14971128 0.90 APLNR (0.75) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL7002432 0.89 APLNR (0.73) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL12522890 0.87 APLNR (0.83) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL2883792 0.87 APLNR (0.71) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL17138360 0.87 APLNR (0.71) APLNRHTR2AHTR2CTSHR
SCHEMBL31579985 0.87 APLNR (0.71) APLNRHTR2AHTR2CMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3007732-B1 BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING UNIV MAINZ JOHANNES GUTENBERG (DE) 2018-09-26 EP disclosed
US-20160136309-A1 BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING SPECIALCHEMICALS VERTRIEB GMBH (DE) 2016-05-19 US disclosed
EP-3007732-A2 BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING Johannes-Gutenberg-Universität Mainz (DE) 2016-04-20 EP disclosed
WO-2014198478-A2 BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING Johannes Gutenberg-Universität Mainz (DE) 2014-12-18 WO disclosed
EP-0781552-B1 Multidrug resistance inhibitors NISSHIN FLOUR MILLING CO (JP) 2001-07-25 EP disclosed
US-6011069-A N-POLYISOPRENYL-N,N'-DIBENZYLETHYLENEDIAMINES NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-01-04 US disclosed
EP-0781552-A1 Multidrug resistance inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-07-02 EP 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-20160136309-A1 BIFUNCTIONAL CHELATING AGENTS BASED ON THE 1,4-DIAZEPINE SCAFFOLD (DAZA) FOR NON-INVASIVE MOLECULAR IMAGING DAZAP1, BAZ2A, BAZ1A APLNR 1283/4885HTR2A 757/4885HTR2C 801/4885

“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.