SCHEMBL4201821

SCHEMBL4201821

Cc1cc(NC(=O)OCc2ccccc2)c(C)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
MAOB P27338 1/20 0.49
MGLL Q99685 2/20 0.49
FAAH O00519 1/20 0.48
PLAU P00749 1/20 0.48
POLB P06746 1/20 0.48
OPRK1 P41145 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAOA P21397 1/20 0.46
PTPN1 P18031 1/20 0.46
CASP3 P42574 1/20 0.45

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
SCHEMBL4218396 0.90 NPC1 (0.68) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL4202527 0.87 NPC1 (0.60) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3028818 0.85 NPC1 (0.68) NPC1RAB9AMAOBMGLLFAAH
SCHEMBL28859639 0.84 NPC1 (0.70) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL9523344 0.84 NPC1 (0.70) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL6570585 0.83 NPC1 (0.64) NPC1RAB9AMAOBMGLLFAAH
SCHEMBL14648942 0.81 NPC1 (0.70) NPC1RAB9AMAOBMGLLFAAH
SCHEMBL12325529 0.81 MGLL (0.59) NPC1RAB9AMAOBMGLLPOLB
SCHEMBL6067806 0.80 NPC1 (0.64) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL3811403 0.80 NPC1 (0.68) NPC1RAB9AHDAC3HDAC1HDAC2

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-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US 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-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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 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
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO disclosed
EP-1228367-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2002-08-07 EP disclosed
WO-2001079170-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2001-10-25 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 (5 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 NPC1 1387/4885RAB9A 1413/4885HDAC3 275/4885
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 NPC1 4389/4885RAB9A 2079/4885HDAC3 3039/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B NPC1 3518/4885RAB9A 3105/4885HDAC3 765/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A NPC1 4270/4885RAB9A 1698/4885HDAC3 3034/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 NPC1 2348/4885RAB9A 4060/4885HDAC3 648/4885

“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.