SCHEMBL2245990

SCHEMBL2245990

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnn(C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MAPK14 Q16539 5/20 0.40
SMO Q99835 5/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADAMTS4 O75173 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL2243764 0.89 ALOX5AP (0.53) ALOX5APNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2993029 0.89 NPC1 (0.52) ALOX5APNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3002224 0.86 ALOX5AP (0.59) ALOX5APSMN1; SMN2MAOBPARP10MAPK14
SCHEMBL2246846 0.84 NPC1 (0.53) ALOX5APNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3914582 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5198390 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5795604 0.83 NPC1 (0.54) ALOX5APNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2248350 0.82 ALOX5AP (0.54) ALOX5APRAB9ASMN1; SMN2MAPK14SMO
SCHEMBL2995628 0.81 NPC1 (0.46) ALOX5APNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2991626 0.80 ALOX5AP (0.61) ALOX5APSMN1; SMN2MAOBPARP10MAPK14

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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 US claimed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 EP claimed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 US claimed
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 EP claimed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 WO claimed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 WO claimed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ALOX5AP 10/4885NPC1 1072/4885RAB9A 4248/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ALOX5AP 10/4885NPC1 1072/4885RAB9A 4248/4885

“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.