SCHEMBL286409

SCHEMBL286409

CS(=O)(=O)O.Cc1ccc(COc2ccc(C3=C(c4ccc(C#N)cc4)OC(C)(C)C3=O)cc2)nc1

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 2/20 0.34
ALOX5AP P20292 4/20 0.38
CYP19A1 P11511 2/20 0.35
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SCN9A Q15858 1/20 0.34
SYK P43405 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL286908 0.94 ALOX5AP (0.40) ALOX5APCYP19A1PTGER4ALDH1A1MAOB
SCHEMBL286384 0.90 SYK (0.44) ALOX5APPTGER4ALDH1A1SYKAURKB
SCHEMBL15000227 0.86 SYK (0.41) ALOX5APMAOBSYKAURKBINCENP
SCHEMBL286634 0.86 SCN9A (0.38) ALOX5APPTGER4ALDH1A1SCN9AMAOB
SCHEMBL286594 0.83 SYK (0.48) ALOX5APPTGER4ALDH1A1SYKAURKB
SCHEMBL286745 0.83 SYK (0.38) ALOX5APSYKAURKBINCENP
SCHEMBL13050121 0.80 SYK (0.36) ALOX5APSYKAURKBINCENPPTGS1
SCHEMBL296262 0.80 KDM4E (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19TP53
SCHEMBL286576 0.79 PDE10A (0.37) ALOX5APCYP19A1PTGER4SCN9AMAOB
SCHEMBL1419801 0.78 PDE10A (0.47) ALOX5AP

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 MAOB 42/4885ALOX5AP 760/4885CYP19A1 828/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A MAOB 42/4885ALOX5AP 760/4885CYP19A1 828/4885
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A MAOB 42/4885ALOX5AP 760/4885CYP19A1 828/4885

“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.