SCHEMBL2925564

SCHEMBL2925564

Cc1c([N+](=O)[O-])cc(C=O)c(O)c1Br

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.59
CYP1A2 P05177 1/20 0.53
GPR35 Q9HC97 1/20 0.44
XDH P47989 1/20 0.42

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
SCHEMBL2925761 0.85 ERN1 (0.56) ERN1GPR35XDH
SCHEMBL28712131 0.85 ERN1 (0.56) ERN1GPR35XDH
SCHEMBL2918547 0.81 ERN1 (0.59) ERN1XDH
SCHEMBL5041177 0.80 CYP1A2 (0.59) ERN1CYP1A2GPR35
SCHEMBL10495967 0.80 CYP1A2 (0.70) ERN1CYP1A2GPR35
SCHEMBL1609323 0.78 ERN1 (0.65) ERN1GPR35XDH
SCHEMBL30954158 0.77 CYP1A2 (0.56) ERN1CYP1A2GPR35
SCHEMBL2921541 0.75 ERN1 (0.52) ERN1CYP1A2
SCHEMBL2925324 0.75 ERN1 (0.52) ERN1CYP1A2
SCHEMBL7101305 0.75 ERN1 (0.65) ERN1CYP1A2GPR35

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 7 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 disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN 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
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

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 ERN1 2423/4885CYP1A2 604/4885GPR35 887/4885

“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.