SCHEMBL7950654

SCHEMBL7950654

COc1cc(/C(C)=N/NC(=O)C(OC)c2ccc(-n3cccn3)cc2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
GAA P10253 2/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19416747 0.93 RAB9A (0.48) RAB9AL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7960680 0.92 RAB9A (0.45) RAB9AL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7950639 0.83
SCHEMBL19416770 0.83 NPSR1 (0.41) RAB9AL3MBTL1ALDH1A1NPSR1POLB
SCHEMBL13491879 0.82 L3MBTL1 (0.67) RAB9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7962255 0.82 PTPN1 (0.43) NPSR1PTPN1
SCHEMBL7962691 0.76 GAA (0.50) GAA
SCHEMBL3221066 0.75
SCHEMBL3221073 0.75
SCHEMBL21003706 0.75 MAPT (0.47) ALDH1A1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2018-05-03 US disclosed
US-9783521-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2017-10-10 US disclosed
EP-2310016-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-10-04 EP disclosed
US-20140038951-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-02-06 US disclosed
US-8377930-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-02-19 US disclosed
WO-2010017236-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2010-02-11 WO disclosed
US-20100035872-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2010-02-11 US disclosed
US-20100035872-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2010-02-11 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 (3 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-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A RAB9A 89/4885L3MBTL1 3487/4885ALDH1A1 2053/4885
US-20140038951-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A RAB9A 89/4885L3MBTL1 3487/4885ALDH1A1 2053/4885
US-20100035872-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A RAB9A 89/4885L3MBTL1 3487/4885ALDH1A1 2053/4885

“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.