SCHEMBL655194

SCHEMBL655194

Cc1cc(NC(=O)OC(C)(C)C)c(C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
BRD9 Q9H8M2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
LCK P06239 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL27828990 0.88 GAA (0.46) POLBKMT2ACA12CA1CA9
SCHEMBL7682127 0.88 CA12 (0.43) POLBCA12CA1CA9BRD9
SCHEMBL15496590 0.83 CA1 (0.39) POLBKMT2ACA12CA1CA9
SCHEMBL653538 0.82 CISD2 (0.41) CA12CA1CA9BRD9LCK
SCHEMBL28797272 0.82 CYP17A1 (0.43) POLBCA12CA1CA9BRD9
SCHEMBL12072957 0.82 LCK (0.41) KMT2ACA12CA1CA9BRD9
SCHEMBL4568354 0.81 MAPT (0.49) KMT2ACA12CA1CA9BRD9
SCHEMBL22743812 0.80 CA12 (0.40) KMT2ACA12CA1CA9BRD9
SCHEMBL5477161 0.80 ATR (0.46) CA12CA1CA9BRD9ALDH1A1
SCHEMBL15496595 0.79 CA12 (0.36) KMT2ACA12CA1CA9BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
WO-2012086735-A1 CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 (JP) 2012-06-28 WO disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
CN-1157376-C Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same ��һ��������ҩ��ʽ���� 2004-07-14 CN 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
CN-1246110-A Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same SUNTORY LTD (JP) 2000-03-01 CN 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 POLB 3219/4885KMT2A 3770/4885CA12 2005/4885
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 POLB 3468/4885KMT2A 4002/4885CA12 4531/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B POLB 4526/4885KMT2A 2191/4885CA12 1361/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM POLB 4051/4885KMT2A 2363/4885CA12 4113/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A POLB 4059/4885KMT2A 2239/4885CA12 1063/4885

“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.