SCHEMBL1383455

SCHEMBL1383455

Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PTGS1 P23219 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NPC1 O15118 2/20 0.48
TRPV1 Q8NER1 5/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
GMNN O75496 1/20 0.46

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
SCHEMBL1381097 0.93 MAPT (0.52) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL2442539 0.92 MAPT (0.57) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1381614 0.91 LMNA (0.54) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL2031873 0.90 RAB9A (0.53) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1380248 0.90 TRPV1 (0.51) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1379809 0.90 MAPT (0.56) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1383390 0.90 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1380816 0.89 MAPT (0.55) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1383689 0.89 MAPT (0.52) RAB9AMAPTLMNASMN1; SMN2HTT
SCHEMBL1380721 0.88 MAPT (0.51) RAB9AMAPTLMNASMN1; SMN2HTT

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
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-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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 RAB9A 2543/4885MAPT 2014/4885LMNA 4213/4885

“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.