SCHEMBL480274

SCHEMBL480274

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(CN5CCOCC5)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
GLP1R P43220 3/20 0.38
PDE2A O00408 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL480260 0.94 ALOX5AP (0.53) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL480391 0.93 ALOX5AP (0.53) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL480195 0.93 ALOX5AP (0.52) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL480225 0.89 ALOX5AP (0.53) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL480157 0.89 ALOX5AP (0.53) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL480217 0.85 ALOX5AP (0.60) ALOX5APALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL480248 0.81 ALOX5AP (0.57) ALOX5APALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL480440 0.81 ALOX5AP (0.55) ALOX5APALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL480250 0.81 ALOX5AP (0.58) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL480280 0.81 ALOX5AP (0.51) ALOX5APNPC1RAB9AMAPT

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 10 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
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
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 14/4885ALDH1A1 173/4885SMN1; SMN2 4411/4885

“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.