SCHEMBL2925877

SCHEMBL2925877

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.44
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39

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
SCHEMBL2921522 0.81 ERN1 (0.47) ERN1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL17744276 0.77 ALDH1A1 (0.41) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL535219 0.75 VCAM1 (0.42) ERN1TSHRALDH1A1
SCHEMBL8596722 0.74 TSHR (0.60) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL26794162 0.74 ALDH1A1 (0.39) ERN1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL12038484 0.73 ERN1 (0.59) ERN1ALDH1A1
SCHEMBL24639391 0.73 GRIN2D (0.46) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL23910778 0.73 ERN1 (0.50) ERN1ALDH1A1
SCHEMBL10478010 0.72 TSHR (0.57) ERN1TSHRALDH1A1GRIN2DGRIN3B
SCHEMBL20377757 0.71 ALDH1A1 (0.52) ERN1TSHRALDH1A1

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 2423/4885TSHR 3235/4885ALDH1A1 503/4885

“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.