SCHEMBL3040887

SCHEMBL3040887

O=C(Nc1cc(Cl)c(O)c(Cl)c1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
ENPP2 Q13822 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4201825 0.87 MGLL (0.58) MGLLPOLBALDH1A1MAPTMEN1
SCHEMBL7383453 0.85 MAPT (0.72) MGLLPOLBALDH1A1MAPTMEN1
SCHEMBL3792694 0.85 MGLL (0.62) MGLLPOLB
SCHEMBL12876566 0.85 MGLL (0.56) MGLLPOLBALDH1A1MAPTMEN1
SCHEMBL655257 0.84 MGLL (0.66) MGLLPOLBALDH1A1MAPTENPP2
SCHEMBL9459601 0.84 MGLL (0.66) MGLLPOLBALDH1A1MAPTENPP2
SCHEMBL3044373 0.83 POLB (0.57) POLBALDH1A1MAPTMEN1LMNA
SCHEMBL3786672 0.83 MGLL (0.60) MGLLPOLBALDH1A1MAPTMEN1
SCHEMBL3789239 0.83 MEN1 (0.60) MGLLPOLBALDH1A1MAPTMEN1
SCHEMBL27543872 0.82 MGLL (0.59) MGLLPOLBALDH1A1MAPTENPP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046131-A1 PURINES AS PKC-THETA INHIBITORS N.V. Organon and Pharmacopeia, LLC 2011-02-24 US disclosed
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US disclosed
WO-2008051826-A2 PURINES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2008-05-02 WO disclosed
EP-1228367-B1 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF ASUBIO PHARMA CO LTD (JP) 2007-09-26 EP disclosed
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. 2006-08-10 US disclosed
US-7067533-B2 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2006-06-27 US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 US disclosed
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-05-12 US disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
EP-1138678-B1 Process for making N-((4-phenyl) methylphenyl) piperazines DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-12-22 EP disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 US disclosed
US-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP 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 (7 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-20110046131-A1 PURINES AS PKC-THETA INHIBITORS PRKCQ, PRKCE, PRKCH MGLL 2270/4885POLB 622/4885ALDH1A1 4413/4885
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 MGLL 155/4885POLB 3468/4885ALDH1A1 837/4885
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 MGLL 4493/4885POLB 4031/4885ALDH1A1 1522/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 MGLL 491/4885POLB 4115/4885ALDH1A1 2254/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B MGLL 4864/4885POLB 4526/4885ALDH1A1 3310/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A MGLL 4708/4885POLB 4059/4885ALDH1A1 1079/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 MGLL 4664/4885POLB 3328/4885ALDH1A1 1322/4885

“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.