SCHEMBL1383243

SCHEMBL1383243

COc1cc(NC(=O)c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.45
MAPT P10636 5/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1379615 0.85 KCNMA1 (0.56) ALDH1A1SMN1; SMN2KMT2AMAPTPOLB
SCHEMBL1381054 0.85 KCNMA1 (0.56) GAAALDH1A1HTTKMT2AMAPT
SCHEMBL1383709 0.84 MEN1 (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL1378563 0.83 KMT2A (0.50) GAASMN1; SMN2HTTKMT2AMAPT
SCHEMBL1386121 0.83 MAPT (0.53) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL1381432 0.82 NOTUM (0.45) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL1380796 0.81 RAB9A (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL1383112 0.81 MEN1 (0.52) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL1381266 0.81 EPHX2 (0.43) GAAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL1383979 0.81 HSD17B10 (0.47) GAAALDH1A1SMN1; SMN2KMT2AMAPT

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 6 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-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

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 GAA 1346/4885ALDH1A1 2251/4885SMN1; SMN2 3536/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 GAA 4341/4885ALDH1A1 1665/4885SMN1; SMN2 4731/4885

“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.