SCHEMBL2245351

SCHEMBL2245351

Nc1nnc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C3CCC3)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALOX5 P09917 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PARP10 Q53GL7 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ GPR119 Q8TDV5 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
SCHEMBL2251852 0.96 KDM4E (0.46) KDM4EHSD17B10ALOX5ALDH1A1SMN1; SMN2
SCHEMBL2245993 0.81 KDM4E (0.50) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10
SCHEMBL2252020 0.81 KDM4E (0.46) KDM4EHSD17B10ALOX5ALDH1A1SMN1; SMN2
SCHEMBL2246150 0.80 KDM4E (0.47) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10
SCHEMBL2252037 0.78 ALOX5AP (0.54) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10
SCHEMBL975660 0.78 KDM4E (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10
SCHEMBL2253265 0.78 KDM4E (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10
SCHEMBL2247962 0.78 KDM4E (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10
SCHEMBL2244629 0.78 ALOX5 (0.57) KDM4EALOX5ALDH1A1SMN1; SMN2PARP10
SCHEMBL2243501 0.77 ALOX5AP (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US claimed
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
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US disclosed
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 — — EP disclosed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 — — WO 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 KDM4E 2100/4885HSD17B10 675/4885ALOX5 1/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B KDM4E 2100/4885HSD17B10 675/4885ALOX5 1/4885

“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.

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