SCHEMBL1385138

SCHEMBL1385138

CCOc1ccccc1NC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
RXFP1 Q9HBX9 2/20 0.56
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
MRGPRX1 Q96LB2 4/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL1378563 0.89 KMT2A (0.50) MAPTRXFP1HSD17B10TSHRHTT
SCHEMBL1380895 0.88 P2RY1 (0.47) MAPTRXFP1KCNK3KCNK9HTT
SCHEMBL1382551 0.86 SMN1; SMN2 (0.52) MAPTRXFP1POLBTSHRHTT
SCHEMBL2027776 0.86 TDP1 (0.50) MAPTRXFP1MAPK1TSHRHTT
SCHEMBL1382813 0.86 SMN1; SMN2 (0.46) MAPTRXFP1TSHRHTTRAB9A
SCHEMBL1380399 0.86 TSHR (0.52) MAPTPOLBHSD17B10TSHRHTT
SCHEMBL1381468 0.85 LMNA (0.46) MAPTRXFP1POLBHSD17B10HTT
SCHEMBL2439146 0.85 NOTUM (0.50) MAPTRXFP1HSD17B10MAPK1HTT
SCHEMBL1378861 0.84 MAPT (0.47) MAPTRXFP1KCNK3KCNK9POLB
SCHEMBL1385895 0.84 KCNK3 (0.57) MAPTRXFP1KCNK3KCNK9POLB

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 8 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
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 2014/4885RXFP1 134/4885KCNK3 3073/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 MAPT 4352/4885RXFP1 838/4885KCNK3 3491/4885

“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.