SCHEMBL9973239

SCHEMBL9973239

CCCCCCCNC(=N)NC(=N)NC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.47
CASP2 P42575 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
NAAA Q02083 1/20 0.40
SPHK1 Q9NYA1 3/20 0.39
FAAH O00519 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 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
Hydrochloric Acid SCHEMBL1936229 0.98 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL1938197 0.98 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL1938993 0.98 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL14868287 0.98 EPHX1 (0.43) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL13227081 0.92 EPHX1 (0.39) EPHX1
SCHEMBL28641303 0.92 KDM4E (0.37) EPHX1CASP2
SCHEMBL14682771 0.92 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL2782596 0.92 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18040458 0.92 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL918890 0.92 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238331-A1 COATINGS, FORMULATIONS, USES AND COATING METHODS BIOINTERACTIONS LTD (GB) 2024-07-18 US disclosed
US-20230338476-A1 COACTIVE COMBINATIONS OF ANTIMICROBIALS WITH DISPERSINB ONTARIO POWER GENERATION INC. (CA) 2023-10-26 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11744248-B2 Disinfectant composition for control of clostridium difficile spore ENVIRO SPECIALTY CHEMICALS INC. (US) 2023-09-05 US disclosed
WO-2023159278-A1 ANTI-PATHOGENIC AEROSOL COMPOSITIONS Squire Kent Pty Limited (AU) 2023-08-31 WO disclosed
US-RE49528-E1 Bioactive coatings BIOINTERACTIONS LTD. (GB) 2023-05-16 US disclosed
US-RE49522-E1 Bioactive coatings BIOINTERACTIONS LTD. (GB) 2023-05-09 US disclosed
US-10448643-B2 Low pH disinfectant composition MEDIVATORS INC. (US) 2019-10-22 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20110212933-A1 Antiseptic Compositions for the Treatment of Infections ALDA PHARMACEUTICALS CORP. (CA) 2011-09-01 US disclosed
US-7851541-B2 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2010-12-14 US disclosed
US-20100240762-A1 SANITIZER FORMULATIONS ARCH CHEMICALS, INC. 2010-09-23 US disclosed
US-20080142453-A1 Biocidal composition and method for treating recirculating water systems ARCH CHEMICALS, INC. 2008-06-19 US disclosed
US-20070271707-A1 Fibres Treated With Antimicrobial Agents ARCH UK BIOCIDES LIMITED (GB) 2007-11-29 US disclosed
US-7285157-B1 Air filter ARCH UK BIOCIDES LIMITED (GB) 2007-10-23 US disclosed
US-20070203285-A1 Composition and use HODGE DAVID J 2007-08-30 US disclosed
US-7226968-B2 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2007-06-05 US disclosed
US-7217759-B2 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2007-05-15 US disclosed
US-7202287-B2 Method and compositions ARCH CHEMICALS, INC. (US) 2007-04-10 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 (10 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-20100240762-A1 SANITIZER FORMULATIONS ACMSD, AADAC, ALKBH5 EPHX1 4454/4885CASP2 731/4885ZDHHC20 1505/4885
US-20110212933-A1 Antiseptic Compositions for the Treatment of Infections CUTA, POLR1C, NACA EPHX1 2483/4885CASP2 2277/4885ZDHHC20 1118/4885
US-20240238331-A1 COATINGS, FORMULATIONS, USES AND COATING METHODS GNE, PUF60, HPSE EPHX1 3779/4885CASP2 3027/4885ZDHHC20 3034/4885
US-20080142453-A1 Biocidal composition and method for treating recirculating water systems DBH, DBF4, QDPR EPHX1 963/4885CASP2 1607/4885ZDHHC20 3006/4885
US-11744248-B2 Disinfectant composition for control of clostridium difficile spore EPCAM, DSTN, DSG1 EPHX1 4028/4885CASP2 657/4885ZDHHC20 2757/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 EPHX1 2097/4885CASP2 3362/4885ZDHHC20 1045/4885
US-10448643-B2 Low pH disinfectant composition ADH1C, ADH1A, ADH5 EPHX1 579/4885CASP2 144/4885ZDHHC20 1734/4885
US-20070271707-A1 Fibres Treated With Antimicrobial Agents DCXR, MGAM, COL1A1 EPHX1 1744/4885CASP2 1010/4885ZDHHC20 3812/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 EPHX1 2097/4885CASP2 3362/4885ZDHHC20 1045/4885
US-20230338476-A1 COACTIVE COMBINATIONS OF ANTIMICROBIALS WITH DISPERSINB DSTN, DBN1, DBNL EPHX1 4376/4885CASP2 2683/4885ZDHHC20 3713/4885

“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.