SCHEMBL515930

SCHEMBL515930

CONC(=O)C1(c2cccnc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 7/20 0.44
ITGB7 P26010 7/20 0.44
ALDH1A1 P00352 2/20 0.44
IDO1 P14902 1/20 0.43
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM5A P29375 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
P2RX7 Q99572 1/20 0.40
VNN1 O95497 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7010865 0.83 ALDH1A1 (0.47) ITGA4ITGB7ALDH1A1IDO1CYP2D6
SCHEMBL19537444 0.83 ALDH1A1 (0.46) ITGA4ITGB7ALDH1A1IDO1HSD11B1
Hydrochloric Acid SCHEMBL30714941 0.82 ALDH1A1 (0.45) ITGA4ITGB7ALDH1A1IDO1HSD11B1
SCHEMBL19531854 0.79 ALDH1A1 (0.43) ITGA4ITGB7ALDH1A1IDO1HSD11B1
SCHEMBL10002454 0.78 OPRM1 (0.49) ALDH1A1HSD11B1LMNAVNN1
SCHEMBL25460767 0.78 ALDH1A1 (0.53) ITGA4ITGB7ALDH1A1IDO1HSD11B1
SCHEMBL25460766 0.78 IDO1 (0.52) ITGA4ITGB7ALDH1A1IDO1HSD11B1
SCHEMBL21380384 0.78 ALDH1A1 (0.50) ITGA4ITGB7ALDH1A1IDO1HSD11B1
SCHEMBL2592593 0.77 ALDH1A1 (0.52) ITGA4ITGB7ALDH1A1IDO1HSD11B1
SCHEMBL2593341 0.77 ITGA4 (0.48) ITGA4ITGB7ALDH1A1IDO1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113395898-A Compositions for treating citrus disease and promoting yield enhancement of row crops 斯波根生物技术公司 2021-09-14 CN disclosed
CN-111491654-A Biologically active polypeptides for improving the protection, growth and productivity of plants 斯波根生物技术公司 2020-08-04 CN disclosed
US-8314254-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
US-8119570-B1 3-biphenyl-substituted-3-substituted-4-ketolactam and ketolactone and their utilization as pesticide BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120028804-A1 3-BIPHENYL-SUBSTITUTED-3-SUBSTITUTED-4-KETOLACTAM AND KETOLACTONE AND THEIR UTILIZATION AS PESTICIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-02-02 US disclosed
US-8063096-B2 Spirocyclic 3-phenyl-3substituted-4-ketolactams and-lactones BAYER CROPSCIENCE AG (DE) 2011-11-22 US disclosed
US-8058452-B2 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE AG (US) 2011-11-15 US disclosed
US-20110143942-A1 Pyrazolyl-Substituted Heterocycles and Their Use as Phytosanitary Products FISCHER REINER 2011-06-16 US disclosed
EP-2314161-A1 Controlled-release insecticidal formulations Bayer Cropscience LP (US) 2011-04-27 EP disclosed
US-7928037-B2 3-biphenyl-substituted-3-substituted-4-ketolactam and ketolactone and their utilization as pesticide BAYER CROPSCIENCE AG (DE) 2011-04-19 US disclosed
US-20050090400-A1 3-biphenyl-substituted-3-substituted-4-ketolactam and ketolactone and their utilization as pesticide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-04-28 US disclosed
US-20050070707-A1 microbicides, pesticides and herbicides BAYER CROPSCIENCE AG (DE) 2005-03-31 US disclosed
US-20050049285-A1 Dichloropyridyl methyl cyanamidines BAYER CROPSCIENCE AG (DE) 2005-03-03 US disclosed
US-20050032885-A1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER CROPSCIENCE AG (DE) 2005-02-10 US disclosed
US-20050009839-A1 Novel azoles having an insecticidal action BAYER CROPSCIENCE AG (DE) 2005-01-13 US disclosed
US-6838462-B2 Insecticidal azoles BAYER CROPSCIENCE LP (DE) 2005-01-04 US disclosed
US-20040242664-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE AG (DE) 2004-12-02 US disclosed
US-20040242662-A1 Azinyl sulfonylimidazoles for use as microbicidal agents BAYER CROPSCIENCE AG (DE) 2004-12-02 US disclosed
US-20040209896-A1 Novel insecticidal azoles BAYER CROPSCIENCE AG (DE) 2004-10-21 US disclosed
US-20040077880-A1 Sulfonylpyrroles BAYER CROPSCIENCE AG (DE) 2004-04-22 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 (11 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-20040077880-A1 Sulfonylpyrroles CBR3, CBR1, CYCS ITGA4 3668/4885ITGB7 4232/4885ALDH1A1 2270/4885
US-20120028804-A1 3-BIPHENYL-SUBSTITUTED-3-SUBSTITUTED-4-KETOLACTAM AND KETOLACTONE AND THEIR UTILIZATION AS PESTICIDE CYP2B6, CYP2A6, CYP1B1 ITGA4 2879/4885ITGB7 3997/4885ALDH1A1 753/4885
US-20050090400-A1 3-biphenyl-substituted-3-substituted-4-ketolactam and ketolactone and their utilization as pesticide CYP2B6, CYP2A6, CYP1B1 ITGA4 3324/4885ITGB7 4097/4885ALDH1A1 1048/4885
US-20040242664-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products CYP1A1, CYP1B1, CYP8B1 ITGA4 4670/4885ITGB7 4495/4885ALDH1A1 1146/4885
US-20110143942-A1 Pyrazolyl-Substituted Heterocycles and Their Use as Phytosanitary Products DDT, HPD, CYP8B1 ITGA4 4796/4885ITGB7 4611/4885ALDH1A1 2320/4885
US-20050009839-A1 Novel azoles having an insecticidal action CYP51A1, DDT, CRY1 ITGA4 4216/4885ITGB7 4217/4885ALDH1A1 3099/4885
US-20040242662-A1 Azinyl sulfonylimidazoles for use as microbicidal agents CBR1, MASTL, AZI2 ITGA4 1086/4885ITGB7 985/4885ALDH1A1 715/4885
US-20050070707-A1 microbicides, pesticides and herbicides DDT, CX3CR1, MSR1 ITGA4 2683/4885ITGB7 1710/4885ALDH1A1 286/4885
US-20040209896-A1 Novel insecticidal azoles CYP51A1, CRY1, CYP4X1 ITGA4 3426/4885ITGB7 3205/4885ALDH1A1 1609/4885
US-20050049285-A1 Dichloropyridyl methyl cyanamidines MRPL21, DDT, FBL ITGA4 2349/4885ITGB7 2793/4885ALDH1A1 2077/4885
US-20050032885-A1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones PDHX, CYP2A6, CYP2D6 ITGA4 2470/4885ITGB7 4017/4885ALDH1A1 749/4885

“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.