SCHEMBL2921780

SCHEMBL2921780

COc1cc(Cl)cc(CN2CCN(c3cc(=O)[nH]cn3)CC2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.42
MAPT P10636 7/20 0.40
MAPK1 P28482 5/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 5/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
FAAH O00519 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2927783 0.88 GAA (0.42) GAAMAPTMAPK1LMNAKMT2A
SCHEMBL2927617 0.88 GAA (0.58) GAAMAPTMAPK1LMNAKMT2A
SCHEMBL2920974 0.86 LMNA (0.40) MAPTMAPK1LMNAKMT2ATSHR
SCHEMBL2921494 0.86 MAPT (0.40) GAAMAPTMAPK1LMNAKMT2A
SCHEMBL2918950 0.86 LMNA (0.51) MAPTMAPK1LMNAKMT2ATSHR
SCHEMBL2926592 0.84 GAA (0.41) GAAMAPTMAPK1LMNAKMT2A
SCHEMBL2924254 0.80 TSHR (0.42) MAPTMAPK1LMNAKMT2ATSHR
SCHEMBL2919044 0.78 MEN1 (0.58) MAPTMAPK1LMNAKMT2ATSHR
SCHEMBL2916148 0.78 GFER (0.53) GAAMAPTMAPK1LMNAKMT2A
SCHEMBL16258956 0.78 KDM4E (0.43) MAPTLMNAKMT2ATSHRMEN1

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
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP claimed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 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 (1 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 GAA 279/4885MAPT 3663/4885MAPK1 3338/4885

“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.