SCHEMBL2926561

SCHEMBL2926561

O=c1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)nc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
CYP2A13 Q16696 1/20 0.47
PIK3CB P42338 8/20 0.47
PIK3CA P42336 5/20 0.47
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
PIK3CD O00329 6/20 0.42
PIK3CG P48736 4/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PLA2G1B P04054 1/20 0.42
RAB9A P51151 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL2927769 0.89 KDM4E (0.50) KDM4EALDH1A1CYP2A13PIK3CBPIK3CA
SCHEMBL2924975 0.89 KDM4E (0.43) KDM4EALDH1A1PIK3CBPIK3CADRD2
SCHEMBL2926662 0.84 AOC2 (0.38) KDM4EALDH1A1PIK3CBPIK3CADRD2
SCHEMBL3039842 0.84 CYP2A13 (0.49) KDM4EALDH1A1POLBCYP2A13RAB9A
SCHEMBL2925620 0.81 MPO (0.54) KDM4EALDH1A1POLBDRD2RAB9A
SCHEMBL2927721 0.81 CYP2A13 (0.45) KDM4EALDH1A1CYP2A13DRD4RAB9A
SCHEMBL2923111 0.81 TRPC5 (0.51) KDM4EALDH1A1CYP2A13RAB9AGAA
SCHEMBL2926584 0.81 GALR3 (0.51) KDM4EALDH1A1POLBRAB9AGAA
SCHEMBL2926987 0.80 SIGMAR1 (0.55) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL2916247 0.80 EGLN2 (0.42) ALDH1A1HTTMAPT

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 20 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
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US claimed
US-9358250-B2 Methods of using SCD1 antagonists GENENTECH, INC. (US) 2016-06-07 US disclosed
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-2766000-A2 SCD1 ANTAGONISTS FOR TREATING CANCER F.HOFFMANN-LA ROCHE AG (CH) 2014-08-20 EP disclosed
WO-2013056148-A2 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 WO disclosed
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 US 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 (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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 KDM4E 856/4885ALDH1A1 503/4885POLB 3147/4885
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 KDM4E 3864/4885ALDH1A1 414/4885POLB 3892/4885

“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.