SCHEMBL1380344

SCHEMBL1380344

Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
NPY5R Q15761 2/20 0.47
NR3C2 P08235 2/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
NOTUM Q6P988 6/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
FADS1 O60427 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CCR1 P32246 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
SCHEMBL1383390 0.91 MAPT (0.66) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1383364 0.89 RAB9A (0.52) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL2442539 0.89 MAPT (0.57) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1381753 0.88 MAPT (0.47) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1380427 0.88 MAPT (0.47) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1382176 0.88 RAB9A (0.48) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1380755 0.87 MAPT (0.53) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1383153 0.87 MAPT (0.52) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1380291 0.87 GRM4 (0.53) MAPTMAPK1NPSR1ALDH1A1HPGD
SCHEMBL1380410 0.87 NOTUM (0.51) MAPTMAPK1NPSR1HPGDHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4703649-B2 2011-06-15 JP claimed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAPT 2014/4885MAPK1 2322/4885NPSR1 4/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 MAPT 4352/4885MAPK1 3454/4885NPSR1 181/4885

“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.