SCHEMBL3700968

SCHEMBL3700968

CC(C)(CC(O)(C(=O)Nc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.56
PGR P06401 4/20 0.54
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 2/20 0.46
CLK1 P49759 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NR3C2 P08235 3/20 0.44
AR P10275 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
PABPC1 P11940 3/20 0.43
EIF4H Q15056 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4196464 0.89 PABPC1 (0.51) NR3C1PGRMAPTCLK1KDM4E
SCHEMBL3649833 0.88 NR3C1 (0.71) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL4816741 0.81 CYP1A2 (0.50) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL4827236 0.81 PABPC1 (0.51) NR3C1PGRCYP1A2CYP3A4KDM4E
SCHEMBL6765214 0.79 NR3C1 (0.45) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL3649826 0.78 NR3C1 (0.58) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL3693681 0.78 MAPT (0.55) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL3652022 0.77 CYP1A2 (0.46) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL3651449 0.77 NR3C1 (0.44) NR3C1PGRCYP1A2CYP3A4MAPT
SCHEMBL291862 0.76 NR3C1 (0.56) NR3C1PGRNR3C2ARMEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8282909-B2 Pharmaceutical composition for topical application of poorly soluble compounds INTENDIS GMBH (DE) 2012-10-09 US claimed
US-8282909-B2 Pharmaceutical composition for topical application of poorly soluble compounds INTENDIS GMBH (DE) 2012-10-09 US disclosed
EP-2182918-A2 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS Intendis GmbH (DE) 2010-05-12 EP disclosed
US-20090016969-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS INTENDIS GMBH (DE) 2009-01-15 US disclosed
WO-2009007137-A2 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS INTENDIS GMBH (DE) 2009-01-15 WO disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 NR3C1 2380/4885PGR 3899/4885CYP1A2 39/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 NR3C1 2380/4885PGR 3899/4885CYP1A2 39/4885

“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.