SCHEMBL1308464

SCHEMBL1308464

O=C/C=C/c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX5 P09917 2/20 0.58
TRPA1 O75762 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL1308466 1.00 ALDH1A1 (0.58) ALDH1A1ALOX5TRPA1LMNAMAPK1
SCHEMBL7476502 0.91 JUN (0.48) ALDH1A1ALOX5TRPA1LMNAMAPK1
SCHEMBL7476497 0.91 JUN (0.48) ALDH1A1ALOX5TRPA1LMNAMAPK1
Oxalic Acid SCHEMBL1678014 0.89 ALDH1A1 (0.54) ALDH1A1ALOX5TRPA1LMNAMAPK1
Oxalic Acid SCHEMBL1678015 0.89 ALDH1A1 (0.54) ALDH1A1ALOX5TRPA1LMNAMAPK1
SCHEMBL6756230 0.87 MAPT (0.52) ALDH1A1ALOX5TRPA1LMNAMAPK1
SCHEMBL6756231 0.87 MAPT (0.52) ALDH1A1ALOX5TRPA1LMNAMAPK1
SCHEMBL4004419 0.84 JUN (0.54) ALDH1A1ALOX5LMNAMAPTKDM4E
SCHEMBL4004416 0.84 JUN (0.54) ALDH1A1ALOX5LMNAMAPTKDM4E
SCHEMBL15401259 0.81 JUN (0.52) ALDH1A1ALOX5MAPTKDM4EJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095698-A1 ELECTROLYTIC TIN PLATING SOLUTION C. UYEMURA & CO., LTD. (JP) 2020-03-26 US claimed
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
US-11807619-B2 Para acyl substituted diazacyclohexene derivatives Renovel Innovations, Inc. 2023-11-07 US disclosed
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 US disclosed
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
EP-0771796-A1 Substituted S-triazines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed
EP-0234247-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTOGRAPHIC PROCESS MITSUBISHI PAPER MILLS, LTD. (JP) 1992-01-08 EP disclosed
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed
US-4702983-A Electrophotographic photoreceptor comprising bis-azo pigment MITSUBISHI PAPER MILLS, LTD. (JP) 1987-10-27 US disclosed
EP-0234247-A2 Electrophotographic photoreceptor and electrophotographic process MITSUBISHI PAPER MILLS, LTD. (JP) 1987-09-02 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 (3 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-11807619-B2 Para acyl substituted diazacyclohexene derivatives AADAC, TBXA2R, DPP8 ALDH1A1 1087/4885ALOX5 83/4885TRPA1 1404/4885
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof PDK1, PDHA1, PDHA2 ALDH1A1 7/4885ALOX5 365/4885TRPA1 4703/4885
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 ALDH1A1 2462/4885ALOX5 1379/4885TRPA1 4733/4885

“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.