SCHEMBL1383341

SCHEMBL1383341

Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RORC P51449 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 4/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MITF O75030 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL1380586 0.94 MAPT (0.47) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1380019 0.90 MEN1 (0.52) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1380235 0.88 AR (0.52) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1383112 0.87 MEN1 (0.52) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1386121 0.87 MAPT (0.53) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2442539 0.87 MAPT (0.57) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1384236 0.86 KCNMA1 (0.54) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL1380611 0.86 LMNA (0.51) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1381614 0.86 LMNA (0.54) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL1383455 0.86 RAB9A (0.54) MAPTALDH1A1RAB9ASMN1; SMN2LMNA

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 2014/4885ALDH1A1 2251/4885RAB9A 2543/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 MAPT 4352/4885ALDH1A1 1665/4885RAB9A 4605/4885

“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.