SCHEMBL480264

SCHEMBL480264

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)o2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX5AP P20292 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SYK P43405 7/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34

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
SCHEMBL2245993 0.90 KDM4E (0.50) KDM4EHSD17B10ALOX5APPARP10ADAMTS4
SCHEMBL2253265 0.83 KDM4E (0.46) KDM4EHSD17B10ALOX5APPARP10TP53
SCHEMBL2247962 0.83 KDM4E (0.46) KDM4EHSD17B10ALOX5APPARP10ADAMTS4
SCHEMBL13248362 0.79 KDM4E (0.53) KDM4EHSD17B10TP53POLBALDH1A1
SCHEMBL10197904 0.79 ALOX5AP (0.40) KDM4EALOX5APPARP10ADAMTS4TP53
SCHEMBL14942350 0.79 KMT2A (0.45) ALOX5APPARP10ADAMTS4TP53ALDH1A1
SCHEMBL2795215 0.78 CYP11B1 (0.43) KDM4EALOX5APPARP10ALDH1A1SMN1; SMN2
SCHEMBL480282 0.78 NPC1 (0.45) KDM4EALOX5APPARP10ADAMTS4TP53
Ammonia Solution, Strong SCHEMBL480417 0.78 KMT2A (0.44) ALOX5APPARP10ADAMTS4TP53ALDH1A1
SCHEMBL2252037 0.78 ALOX5AP (0.54) KDM4EHSD17B10ALOX5APPARP10ADAMTS4

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
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 — — EP 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 KDM4E 2454/4885HSD17B10 682/4885ALOX5AP 14/4885

“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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