SCHEMBL480250

SCHEMBL480250

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(C(C)(C)N)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.58
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC5 Q9UQL6 2/20 0.35
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAP4K4 O95819 1/20 0.34
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
Hydrochloric Acid SCHEMBL480177 0.99 ALOX5AP (0.57) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL480146 0.91 ALOX5AP (0.66) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL480247 0.91 ALOX5AP (0.66) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL2796309 0.86 ALOX5AP (0.57) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL480217 0.85 ALOX5AP (0.60) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL10198941 0.84 ALOX5AP (0.55) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL480283 0.84 ALOX5AP (0.55) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL480173 0.84 ALOX5AP (0.55) ALOX5APMKNK1MKNK2CA2CA9
SCHEMBL480274 0.81 ALOX5AP (0.51) ALOX5APMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL480260 0.81 ALOX5AP (0.53) ALOX5APCYP1A2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US claimed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US claimed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO claimed
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-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885MKNK1 4255/4885MKNK2 4251/4885

“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.