SCHEMBL2918926

SCHEMBL2918926

O=c1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)nc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 5/20 0.47
DRD4 P21917 4/20 0.47
TMEM97 Q5BJF2 2/20 0.47
DRD3 P35462 1/20 0.47
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 5/20 0.38
TNK1 Q13470 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2925180 0.90 PIK3CD (0.44) SIGMAR1DRD4TMEM97MEN1KMT2A
SCHEMBL2945093 0.87 CHKA (0.43) JAK2JAK1JAK3PARP1TNK1
SCHEMBL2925554 0.84 ALDH1A1 (0.58) ALDH1A1DRD4DRD3MEN1KMT2A
SCHEMBL2924810 0.83 SIGMAR1 (0.51) SIGMAR1RECQL
SCHEMBL2926987 0.82 SIGMAR1 (0.55) ALDH1A1SIGMAR1DRD4DRD3MEN1
SCHEMBL2926479 0.80 TSHR (0.39) ALDH1A1KMT2APARP1PARP2
SCHEMBL2926168 0.80 SMN1; SMN2 (0.50) ALDH1A1HTTDRD4DRD3MEN1
SCHEMBL2924655 0.80 ALDH1A1 (0.61) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL13813017 0.78 POLB (0.38) ALDH1A1KMT2AKDM4EPARP1PARP2
SCHEMBL3039842 0.77 CYP2A13 (0.49) ALDH1A1MEN1KMT2AKDM4E

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 ALDH1A1 503/4885HTT 3554/4885SIGMAR1 2689/4885

“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.