SCHEMBL459799

SCHEMBL459799

C#CCN(CCCC)CCCC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PYCR1 P32322 1/20 0.34
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
SCHEMBL17017116 0.97 KCNH2 (0.34) KCNH2CA12CA1CA9PYCR1
SCHEMBL13259384 0.95 KCNH2 (0.35) KCNH2CA12CA1CA9PYCR1
SCHEMBL8519897 0.90 DNM1 (0.44) KCNH2
SCHEMBL30156804 0.90 DNM1 (0.44) KCNH2
SCHEMBL30692301 0.90 DNM1 (0.44) KCNH2
SCHEMBL24693238 0.87 EPHX1 (0.33) KCNH2
SCHEMBL935039 0.86 PYCR1 (0.38) CA12CA9PYCR1
SCHEMBL16965227 0.85 DNM1 (0.44) KCNH2
SCHEMBL16587970 0.83 SMN1; SMN2 (0.37)
SCHEMBL16922402 0.81 LMNA (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595977-A1 PROCESS FOR PREPARING BENZOFURAN DERIVATIVES SUBSTITUTED AT POSITION 5 SANOFI (FR) 2013-05-29 EP claimed
EP-2552900-A1 PROCESS FOR PREPARING AMINOBENZOFURAN DERIVATIVES SANOFI (FR) 2013-02-06 EP claimed
EP-2542544-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESISING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-09 EP claimed
WO-2012010802-A1 PROCESS FOR PREPARING BENZOFURAN DERIVATIVES SUBSTITUTED AT POSITION 5 SANOFI (FR) 2012-01-26 WO claimed
WO-2011121245-A1 PROCESS FOR PREPARING AMINOBENZOFURAN DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 WO claimed
WO-2011107705-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESISING SAME, AND INTERMEDIATES SANOFI-AVENTIS (FR) 2011-09-09 WO claimed
EP-1647555-B1 THE C-GLYCOSYLISOFLAVONES HAVING ALKYLAMINOALKOXYL SUBSTITUENT, THE PREPARATION AND THE USE OF THE SAME INST RADIATION MED AMMS PLA (CN) 2011-04-20 EP claimed
EP-1490326-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2010-12-29 EP claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
EP-0857770-B1 Coating compositions, hydrophilic films, and hydrophilic film-coated articles SHINETSU CHEMICAL CO (JP) 2004-09-22 EP claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
EP-0630960-B1 Lubricating oil composition IDEMITSU KOSAN CO (JP) 1999-08-25 EP claimed
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP claimed
US-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-06-27 US disclosed
EP-4313013-A2 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS Dana-Farber Cancer Institute, Inc. (US) 2024-02-07 EP disclosed
EP-0471609-B1 Benzofuran Derivatives, Benzothiophenes, Indoles or Indolizines, Process for Production and Compositions containing them SANOFI SA (FR) 1996-11-27 EP disclosed
EP-0471609-A1 Benzofuran Derivatives, Benzothiophenes, Indoles or Indolizines, Process for Production and Compositions containing them SANOFI (FR) 1992-02-19 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 (2 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-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS ENO1, HIF1A, HIF1AN KCNH2 2838/4885CA12 326/4885CA1 459/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS KCNH2 1011/4885CA12 3930/4885CA1 4008/4885

“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.