SCHEMBL4196464

SCHEMBL4196464

CC(C)(CC(O)(C(=O)Nc1cccc2ncccc12)C(F)(F)F)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 4/20 0.51
EIF4H Q15056 4/20 0.51
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR3C1 P04150 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CLK1 P49759 1/20 0.45
PGR P06401 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
PDK1 Q15118 3/20 0.43
PDK2 Q15119 3/20 0.43
PDK3 Q15120 3/20 0.43
PDK4 Q16654 3/20 0.43

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
SCHEMBL3700968 0.89 NR3C1 (0.56) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL4827236 0.86 PABPC1 (0.51) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL6765214 0.84 NR3C1 (0.45) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL3651449 0.82 NR3C1 (0.44) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL3649833 0.80 NR3C1 (0.71) SMN1; SMN2NR3C1MAPTKDM4EPGR
SCHEMBL3649826 0.79 NR3C1 (0.58) ALDH1A1SMN1; SMN2NR3C1MEN1KMT2A
SCHEMBL3693681 0.79 MAPT (0.55) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL4825651 0.79 PABPC1 (0.56) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL8110781 0.72 MEN1 (0.70) PABPC1EIF4HALDH1A1LMNAHTT
SCHEMBL3652022 0.71 CYP1A2 (0.46) PABPC1EIF4HALDH1A1LMNAHTT

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 15 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
US-20090016969-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS INTENDIS GMBH (DE) 2009-01-15 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
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
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 PABPC1 4393/4885EIF4H 918/4885ALDH1A1 1538/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 PABPC1 4393/4885EIF4H 918/4885ALDH1A1 1538/4885

“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.