SCHEMBL2554967

SCHEMBL2554967

O=CC(C=O)c1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
CYP19A1 P11511 1/20 0.34
P2RX7 Q99572 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
SCHEMBL16402794 0.79 HSP90AA1 (0.35) HSP90AA1CYP19A1P2RX7
SCHEMBL15058024 0.79 HSP90AA1 (0.35) HSP90AA1CYP19A1P2RX7
SCHEMBL2966587 0.75 HSP90AA1 (0.32) HSP90AA1CYP19A1
SCHEMBL16402858 0.75 CYP2D6 (0.35) HSP90AA1CYP19A1P2RX7
SCHEMBL9484430 0.72
SCHEMBL7825242 0.71 CYP19A1 (0.42) CYP19A1
SCHEMBL225565 0.71 SLC6A3 (0.48)
SCHEMBL11876642 0.70
SCHEMBL29448509 0.70
SCHEMBL6826835 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1738646-B1 Forming germicidal aromatic dialdehydes with acetals ETHICON INC (US) 2013-03-20 EP claimed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US claimed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US claimed
EP-1738646-A2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-01-03 EP claimed
CN-109666163-B Hybrid crosslinked dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-05-12 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171121-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
EP-1559435-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-03 EP disclosed
EP-1559704-A1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-08-03 EP disclosed
US-6891069-B1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-05-10 US disclosed
US-3995039-A Pyrazolo [1,5-a] [1,3,5] triazines MERCK & CO., INC. (US) 1976-11-30 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 (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-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ALPG, DDT, DHODH HSP90AA1 193/4885CYP19A1 441/4885P2RX7 3915/4885
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR HSP90AA1 382/4885CYP19A1 257/4885P2RX7 1852/4885
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ALPG, G6PD, PGLS HSP90AA1 116/4885CYP19A1 217/4885P2RX7 3819/4885
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization TST, STS, BPNT1 HSP90AA1 14/4885CYP19A1 1167/4885P2RX7 3284/4885
US-20050171121-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization APEH, ALPG, DDT HSP90AA1 479/4885CYP19A1 258/4885P2RX7 3280/4885

“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.