SCHEMBL4820520

SCHEMBL4820520

COc1ccc(Br)cc1C(C)(C)CC(=O)C(=O)Nc1cccc2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.46
ALDH1A1 P00352 2/20 0.46
P2RX7 Q99572 3/20 0.45
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL4824889 0.93 MAPT (0.60) MAPTKDM4ESMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4824878 0.82 NR3C1 (0.54) MAPTKDM4ESMN1; SMN2HSD17B10L3MBTL1
SCHEMBL3649826 0.81 NR3C1 (0.58) MAPTKDM4ESMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4825651 0.77 PABPC1 (0.56) MAPTKDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL4824745 0.77 PABPC1 (0.56) MAPTKDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL4816741 0.76 CYP1A2 (0.50) MAPTKDM4ESMN1; SMN2L3MBTL1NR3C1
SCHEMBL3693681 0.74 MAPT (0.55) MAPTKDM4ESMN1; SMN2HSD17B10L3MBTL1
SCHEMBL6409103 0.74 NR3C1 (0.49) NR3C1PGRMEN1KMT2APOLB
SCHEMBL4821499 0.73 MEN1 (0.46) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3649833 0.71 NR3C1 (0.71) MAPTKDM4ESMN1; SMN2HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1366/4885KDM4E 3072/4885SMN1; SMN2 4785/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 MAPT 1366/4885KDM4E 3072/4885SMN1; SMN2 4785/4885

“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.