SCHEMBL4454640

SCHEMBL4454640

O=C=NSC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
Acetone SCHEMBL5713246 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL589610 0.87
SCHEMBL4451044 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10514272 0.70
Cyclohexane SCHEMBL4451045 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4041684 0.65 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2828421 0.65
SCHEMBL29082783 0.62
SCHEMBL2830204 0.61
SCHEMBL6692899 0.60 KMT2A (0.35) ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735438-B Guanidino-containing catalysts SIKA技术股份公司 2020-06-09 CN disclosed
CN-107253944-B Tetrahydro benzo thiophene derivant and its preparing the purposes in glycogen synthase kinase 3-beta inhibitors 哈尔滨医科大学 2019-11-22 CN disclosed
CN-107735438-A Catalyst containing guanidine radicals SIKA技术股份公司 2018-02-23 CN disclosed
CN-107253944-A Tetrahydro benzo thiophene derivant and its purposes in glycogen synthase kinase 3-beta inhibitors are prepared 哈尔滨医科大学 2017-10-17 CN disclosed
EP-1732543-B1 TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS PTC THERAPEUTICS INC (US) 2017-05-10 EP disclosed
US-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20080182866-A1 Tetra-Cyclic Carboline Derivatives Useful in the Inhibition of Angiogenesis PTC THERAPEUTICS , INC. A CORPORATION 2008-07-31 US disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1732543-A2 TETRA-CYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS PTC Therapeutics, Inc. (US) 2006-12-20 EP disclosed
US-7070840-B2 Inkjet recording sheet FUJI PHOTO FILM CO., LTD. (JP) 2006-07-04 US disclosed
WO-2005089752-A2 TETRA-CYCLIC CARBOLINE DERIVATIVES FOR INHIBITING ANGIOGENESIS PTC THERAPEUTICS, INC. (US) 2005-09-29 WO disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 US disclosed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 EP disclosed
US-20030068476-A1 Inkjet recording sheet FUJI PHOTO FILM CO., LTD. 2003-04-10 US disclosed
EP-1253021-A2 Inkjet recording sheet FUJI PHOTO FILM CO., LTD. (JP) 2002-10-30 EP disclosed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 WO disclosed
US-4656217-A CURABLE CARBOXY-CONTAINING POLYMER MODIFIED BY AN UNSATURATED AZIRIDINE COMPOUND; ADHESIVES, CONCRETE SLABS; CASTINGS NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1987-04-07 US 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 ALDH1A1 1229/4885
US-20080182866-A1 Tetra-Cyclic Carboline Derivatives Useful in the Inhibition of Angiogenesis VEGFA, TEK, FLT4 ALDH1A1 1621/4885

“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.