SCHEMBL1382297

SCHEMBL1382297

CCc1cccc(CC)c1NC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NOTUM Q6P988 3/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
F2R P25116 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PTGES O14684 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR1 P32246 1/20 0.40

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
SCHEMBL1382771 0.95 HTT (0.48) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL1381468 0.89 LMNA (0.46) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL1381153 0.88 NOTUM (0.49) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL1381600 0.87 NOTUM (0.42) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL1381792 0.86 NOTUM (0.51) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL1382551 0.85 SMN1; SMN2 (0.52) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL1379901 0.84 ALDH1A1 (0.46) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL2031469 0.84 CNR1 (0.43) HTTSMN1; SMN2LMNANOTUMALDH1A1
SCHEMBL2026524 0.84 RAB9A (0.50) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1381211 0.84 RAB9A (0.51) HTTSMN1; SMN2LMNAALDH1A1MAPT

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-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 HTT 854/4885SMN1; SMN2 3536/4885LMNA 4213/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 HTT 4304/4885SMN1; SMN2 4731/4885LMNA 2007/4885

“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.