SCHEMBL945534

SCHEMBL945534

COc1cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
ALDH1A1 P00352 4/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 5/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
GAA P10253 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
POLB P06746 1/20 0.64
KDM4E B2RXH2 2/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
TRPM5 Q9NZQ8 1/20 0.56
FAAH O00519 1/20 0.55

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
SCHEMBL945536 1.00 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL14417613 0.90 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL4075701 0.90 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL4075698 0.90 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL14459813 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL23175276 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL29623470 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL13491926 0.79 LMNA (0.75) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL13381141 0.78 ALDH1A1 (0.79) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL13381133 0.78 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
WO-2009143178-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2009-11-26 WO disclosed
WO-2009143178-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2009-11-26 WO disclosed
EP-2083819-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2009-08-05 EP disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
WO-2008064342-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-05-29 WO disclosed
WO-2008064342-A2 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-05-29 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 (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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A SMN1; SMN2 600/4885ALDH1A1 2782/4885LMNA 3288/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A SMN1; SMN2 544/4885ALDH1A1 2928/4885LMNA 3274/4885

“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.