SCHEMBL480289

SCHEMBL480289

Cc1ccc(C)n1-c1ncc(Br)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 9/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 4/20 0.35
GLA P06280 2/20 0.35
MYC P01106 3/20 0.34
NR4A1 P22736 1/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL1838882 0.74 KDM4E (0.59) KDM4EALDH1A1L3MBTL1GAAMYC
SCHEMBL8523412 0.71 KDM4E (0.55) KDM4EALDH1A1L3MBTL1MYCNR4A1
SCHEMBL4250394 0.71 KDM4E (0.55) KDM4EALDH1A1L3MBTL1MYCNR4A1
SCHEMBL13052936 0.69 KDM4E (0.52) KDM4EALDH1A1L3MBTL1GAAGLA
SCHEMBL882408 0.69 CCR1 (0.52) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2299346 0.68 KDM4E (0.52) KDM4EALDH1A1GAAGLAMYC
SCHEMBL23094536 0.67 KDM4E (0.50) KDM4EALDH1A1L3MBTL1ACACB
SCHEMBL882393 0.67 KDM4E (0.50) KDM4EALDH1A1GAAGLA
SCHEMBL23094529 0.67 KDM4E (0.50) KDM4EALDH1A1L3MBTL1MYCNR4A1
SCHEMBL2899562 0.67 KDM4E (0.50) KDM4EALDH1A1L3MBTL1GAAHPGD

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619196-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
CN-101466677-A Diaryl substituted alkanes MERCK & CO INC (US) 2009-06-24 CN disclosed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO disclosed
EP-2013174-A2 DIARYL SUBSTITUTED ALKANES Merck & Co., Inc. (US) 2009-01-14 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 WO disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 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 (1 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-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 KDM4E 2311/4885ALDH1A1 328/4885L3MBTL1 2936/4885

“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.