SCHEMBL2925191

SCHEMBL2925191

Cc1cc([N+](=O)[O-])c(C)c(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.47
ERN1 O75460 5/20 0.45
XDH P47989 1/20 0.45
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL16346720 0.83 ERN1 (0.47) GPR35ALDH1A1CYP1A2ERN1XDH
SCHEMBL6973758 0.81 CYP1A2 (0.47) GPR35ALDH1A1CYP1A2XDHALDH5A1
SCHEMBL3608493 0.80 GPR35 (0.58) GPR35ALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL16345838 0.79 GPR35 (0.40) GPR35ALDH1A1ERN1XDHALDH5A1
SCHEMBL13082627 0.77 XDH (0.50) GPR35ALDH1A1CYP1A2ERN1XDH
SCHEMBL28650556 0.77 GPR35 (0.55) GPR35ALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL5472172 0.76 GPR35 (0.63) GPR35ALDH1A1CYP1A2CA12CA1
SCHEMBL10614473 0.75 GPR35 (0.53) GPR35ALDH1A1CYP1A2TSHRSMN1; SMN2
SCHEMBL10495967 0.75 CYP1A2 (0.70) GPR35ALDH1A1CYP1A2ERN1TSHR
SCHEMBL531803 0.74 XDH (0.69) GPR35ALDH1A1ERN1XDHALDH5A1

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 GPR35 887/4885ALDH1A1 503/4885CYP1A2 604/4885

“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.