SCHEMBL298442

SCHEMBL298442

COc1ccc(C2=C(c3ccc(OCc4cn5ncccc5n4)cc3)C(=O)C(C)(C)O2)cc1.CS(=O)(=O)O

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PTGER4 P35408 3/20 0.33
PTGS2 P35354 1/20 0.33
HCRTR1 O43613 1/20 0.32
PDE10A Q9Y233 2/20 0.32
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL286507 0.95 KDM4E (0.39) MAPTKDM4EGAARAB9APTGS2
SCHEMBL15000232 0.89 RAB9A (0.40) MAPTKDM4EGAARAB9APTGS2
SCHEMBL14331284 0.88 KDM4E (0.39) MAPTKDM4EGAARAB9APDE10A
SCHEMBL296768 0.87 KDM4E (0.48) MAPTKDM4ERAB9AHCRTR1PDE10A
SCHEMBL298128 0.87 MAPT (0.53) MAPTKDM4EGAARAB9ATYK2
SCHEMBL297472 0.83 KDM4E (0.40) MAPTKDM4EGAARAB9APTGS2
SCHEMBL286605 0.81 MAPT (0.37) MAPTKDM4EGAARAB9APTGS2
SCHEMBL13080993 0.81 KDM4E (0.34) MAPTKDM4EGAARAB9APTGS2
SCHEMBL296229 0.81 MAPT (0.59) MAPTKDM4EGAARAB9A
SCHEMBL286674 0.81 KDM4E (0.51) MAPTKDM4EGAARAB9AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020716-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Forum Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
US-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
EP-2617420-B1 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
EP-2617420-A1 Phenoxymethyl heterocyclic compounds Envivo Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2427454-B1 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS INC (US) 2013-03-20 EP disclosed
US-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2427454-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 US disclosed
WO-2010128995-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2010-11-11 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 (3 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A MAPT 1299/4885KDM4E 559/4885GAA 93/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A MAPT 1299/4885KDM4E 559/4885GAA 93/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A MAPT 1299/4885KDM4E 559/4885GAA 93/4885

“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.