SCHEMBL1386121

SCHEMBL1386121

Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
RORC P51449 2/20 0.52
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
SLC5A1 P13866 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAOB P27338 1/20 0.44
WDR5 P61964 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL1384236 0.91 KCNMA1 (0.54) MAPTRORCKMT2ATNFNOD1
SCHEMBL1381401 0.91 RORC (0.50) MAPTL3MBTL1RORCKMT2AALDH1A1
SCHEMBL1379615 0.89 KCNMA1 (0.56) MAPTRORCKMT2AALDH1A1SMN1; SMN2
SCHEMBL1383341 0.87 MAPT (0.49) MAPTL3MBTL1RORCKMT2AALDH1A1
SCHEMBL1381054 0.87 KCNMA1 (0.56) MAPTRORCKMT2AALDH1A1HTT
SCHEMBL1381692 0.86 RAB9A (0.50) MAPTKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2439146 0.86 NOTUM (0.50) MAPTALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL1380019 0.85 MEN1 (0.52) MAPTL3MBTL1RORCKMT2AALDH1A1
SCHEMBL1381223 0.84 MAPT (0.49) MAPTHTTSMN1; SMN2LMNAMAPK1
SCHEMBL1379604 0.84 SMN1; SMN2 (0.43) MAPTALDH1A1HTTSMN1; SMN2HPGD

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 MAPT 2014/4885L3MBTL1 4875/4885RORC 277/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 MAPT 4352/4885L3MBTL1 4870/4885RORC 28/4885

“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.