SCHEMBL2944760

SCHEMBL2944760

CC1(C)OC[C@@H](c2cccc(C(=O)C(C(=O)c3cccnc3)=C3Nc4ccccc4N3)c2F)O1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.33
POLB P06746 1/20 0.32
TBXAS1 P24557 1/20 0.32
TGM2 P21980 1/20 0.32
HCRTR1 O43613 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2946519 0.83 RXFP1 (0.30) POLB
SCHEMBL2945437 0.81 TBXAS1 (0.33) HCRTR2POLBTBXAS1HCRTR1
SCHEMBL2946918 0.79 PLOD2 (0.43) HCRTR2POLBTBXAS1HCRTR1ALDH1A1
SCHEMBL2946343 0.72 L3MBTL1 (0.37) HCRTR2HCRTR1ALDH1A1
SCHEMBL2945549 0.71 TBXAS1 (0.35) HCRTR2TBXAS1HCRTR1
SCHEMBL2947113 0.71 HCRTR2 (0.37) HCRTR2HCRTR1
SCHEMBL13239938 0.70 PARP1 (0.37) HCRTR2HCRTR1
SCHEMBL22071102 0.69 DRD2 (0.37) HCRTR2POLBHCRTR1ALDH1A1TSHR
SCHEMBL2946311 0.66 TSHR (0.42) POLBALDH1A1TSHR
SCHEMBL2947255 0.66 TSHR (0.42) POLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 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 (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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR HCRTR2 1367/4885POLB 3811/4885TBXAS1 1232/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR HCRTR2 1305/4885POLB 4211/4885TBXAS1 1564/4885

“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.