SCHEMBL2390640

SCHEMBL2390640

COc1cc(C(=O)CBr)cc(OC)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.52
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 3/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL503143 0.85 MEN1 (0.58) GSK3BALDH1A1MEN1KMT2AKDM4E
SCHEMBL12418371 0.85 MEN1 (0.56) GSK3BHPGDSALDH1A1MEN1KMT2A
SCHEMBL11162299 0.85 PKM (0.60) GSK3BHPGDSALDH1A1MEN1KMT2A
SCHEMBL2384856 0.85 MEN1 (0.51) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL1205400 0.82 TSHR (0.66) GSK3BALDH1A1MEN1KMT2AKDM4E
SCHEMBL19318659 0.80 GSK3B (0.56) GSK3BHPGDSALDH1A1MEN1KMT2A
SCHEMBL426444 0.79 TSHR (0.63) GSK3BALDH1A1MEN1KMT2ATSHR
SCHEMBL29620831 0.79 TSHR (0.63) GSK3BALDH1A1MEN1KMT2ATSHR
SCHEMBL1929760 0.79 TUBB4A (0.47) GSK3BALDH1A1MEN1KMT2AKDM4E
SCHEMBL5485861 0.79 GSK3B (0.46) GSK3BHPGDSALDH1A1MEN1KMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 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 (4 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A GSK3B 253/4885HPGDS 399/4885ALDH1A1 2053/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GSK3B 253/4885HPGDS 399/4885ALDH1A1 2053/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GSK3B 253/4885HPGDS 399/4885ALDH1A1 2053/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GSK3B 253/4885HPGDS 399/4885ALDH1A1 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.