SCHEMBL2977327

SCHEMBL2977327

NC(=O)C1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.71
HPGD P15428 4/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.58
HTT P42858 2/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX5 P09917 1/20 0.54
ALOX15 P16050 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL30946854 1.00 NISCH (0.71) NISCHHPGDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17845907 0.98 NISCH (0.69) NISCHHPGDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11099585 0.98 NISCH (0.69) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL3568567 0.86 HPGD (0.63) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL566636 0.85 HPGD (0.61) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL29437007 0.85 HPGD (0.61) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL229498 0.85 HPGD (0.61) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL1567597 0.85 HPGD (0.61) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL1300333 0.85 HPGD (0.61) NISCHHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL4785677 0.83 SMN1; SMN2 (0.53) NISCHHPGDALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US claimed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
CN-101098698-A 5-carboxamido-substituted thiazole derivatives which interact with ion channels, in particular ion channels of the Kv family DEVGEN NV (BE) 2008-01-02 CN claimed
EP-1869038-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZOÝ1,2-A¨PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-12-26 EP claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20050059665-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-6706724-B2 ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT NITROMED, INC. 2004-03-16 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 NISCH 389/4885HPGD 1307/4885ALDH1A1 1389/4885
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 NISCH 1129/4885HPGD 679/4885ALDH1A1 412/4885
US-20050059665-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGES, PTGER4, PTGS1 NISCH 455/4885HPGD 21/4885ALDH1A1 344/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NISCH 558/4885HPGD 1623/4885ALDH1A1 862/4885
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications PTGS2, PTGES2, PTGES NISCH 270/4885HPGD 24/4885ALDH1A1 643/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 NISCH 665/4885HPGD 286/4885ALDH1A1 538/4885
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 NISCH 1316/4885HPGD 4099/4885ALDH1A1 2549/4885
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 NISCH 1908/4885HPGD 4106/4885ALDH1A1 1395/4885

“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.