SCHEMBL3605369

SCHEMBL3605369

Fc1ccccc1Cn1nccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
CYP2A13 Q16696 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL3595893 0.88 GRM2 (0.41) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL15733013 0.82 ALDH1A1 (0.46) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL3599282 0.81 PKM (0.38) GRM2ALDH1A1PKMCYP2A13MEN1
SCHEMBL1491068 0.79 ALDH1A1 (0.51) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL28325985 0.79 ALDH1A1 (0.44) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL28866154 0.76 ALDH1A1 (0.41) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL1710859 0.75 MEN1 (0.56) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL3607562 0.74 CYP19A1 (0.50) GRM2ALDH1A1MAPTPKMMEN1
SCHEMBL327505 0.72 ADORA2A (0.41) GRM2ALDH1A1L3MBTL1MAPTPKM
SCHEMBL3609829 0.71 PKM (0.49) GRM2ALDH1A1MAPTPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809559-B Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP 2010-06-02 CN disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
CN-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
CN-1809559-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2006-07-26 CN disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 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 (7 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GRM2 2346/4885ALDH1A1 515/4885L3MBTL1 2798/4885
US-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GRM2 2346/4885ALDH1A1 515/4885L3MBTL1 2798/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 GRM2 1845/4885ALDH1A1 445/4885L3MBTL1 2470/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 GRM2 2346/4885ALDH1A1 515/4885L3MBTL1 2798/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GRM2 2346/4885ALDH1A1 515/4885L3MBTL1 2798/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 GRM2 2346/4885ALDH1A1 515/4885L3MBTL1 2798/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 GRM2 2346/4885ALDH1A1 515/4885L3MBTL1 2798/4885

“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.