SCHEMBL4451565

SCHEMBL4451565

COc1ncccc1NC(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
GSK3B P49841 2/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL2466772 0.91 ALDH1A1 (0.51) KDM4EALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL1725253 0.80 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL50243 0.80 MEN1 (0.55) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL12182365 0.79 BRD4 (0.50) ALDH1A1HTTSMN1; SMN2HPGDTSHR
SCHEMBL8495853 0.76 CETP (0.47) KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL27339399 0.75 SMN1; SMN2 (0.85) KDM4EALDH1A1SMN1; SMN2NPSR1HSD17B10
SCHEMBL31281717 0.75 ATR (0.44) KDM4EALDH1A1HPGDMAPT
SCHEMBL22264710 0.75 WNT3 (0.66) KDM4EALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL31321007 0.75 WNT3 (0.66) KDM4EALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL16843387 0.74 KDM4E (0.47) KDM4EALDH1A1HTTHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233940-A1 Insecticide Compositions TAYLOR GEORGE 2009-09-17 US disclosed
US-20090156399-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2009-06-18 US disclosed
US-20080274882-A1 Insecticides Based on Selected Neonicotinoids and Strobilurins BAYER CROPSCIENCE AG (DE) 2008-11-06 US disclosed
US-20080261811-A1 Synergistic Mixtures Exhibiting Insecticidal and Fungicidal Action BAYER CROPSCIENCE AG (DE) 2008-10-23 US disclosed
US-20080139388-A1 Synergistic Insecticide Mixtures BAYER CROPSCIENCE AG (DE) 2008-06-12 US disclosed
US-6849744-B2 α-phenyl-β-keto sulfones BAYER AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-6806292-B2 SUCH AS N-CYANO-N'-CYCLOHEXYL-ETH-1-YL-ETHANE-AMIDINE; PESTICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-10-19 US disclosed
US-20040122227-A1 Cyclic guanidine derivatives and their use as pesticides WAGNER KLAUS (DE) 2004-06-24 US disclosed
US-6734198-B1 SUCH AS 5-CHLORO-2-(3,4,4- TRIFLUORO-3-BUTENYLTHIO)THIAZOLE NIHON BAYER AGROCHEM K.K. (JP) 2004-05-11 US disclosed
US-20040063669-A1 Alpha-phenyl-beta-ketosulfone FISCHER REINER (DE) 2004-04-01 US disclosed
US-6683028-B1 Cyclic guanidine derivatives and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6670385-B1 Fungicides, herbicides and insecticides for crops BAYER AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed
US-20030109702-A1 Fungicides, bactericides BAYER AKTIENGESELLSCHAFT (DE) 2003-06-12 US disclosed
US-20030100613-A1 Substituted imide derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-05-29 US disclosed
US-6562856-B1 The invention relates to novel pyrazolyl benzyl ethers, to a process for their preparation and to their use for controlling harmful organisms, bactericides and fungicide BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
US-6518296-B1 For controlling at least one pest selected from the group consisting of insects, arachnids and nematodes BAYER AKTIENGESELLSCHAFT (DE) 2003-02-11 US disclosed
US-6369093-B1 Pyrazole carboxanilide fungicide BAYER AKTIENGESELLSCHAFT (DE) 2002-04-09 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 (8 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-20030100613-A1 Substituted imide derivatives DDT, CBR3, CBR1 KDM4E 1271/4885ALDH1A1 998/4885HTT 3888/4885
US-20080274882-A1 Insecticides Based on Selected Neonicotinoids and Strobilurins STMN2, STMN1, DDX6 KDM4E 4667/4885ALDH1A1 1443/4885HTT 3159/4885
US-20030109702-A1 Fungicides, bactericides BTD, CYP51A1, DDT KDM4E 436/4885ALDH1A1 2530/4885HTT 1636/4885
US-20040122227-A1 Cyclic guanidine derivatives and their use as pesticides PRMT1, GUCY1A1, GUCY1A2 KDM4E 1669/4885ALDH1A1 881/4885HTT 3259/4885
US-20040063669-A1 Alpha-phenyl-beta-ketosulfone CYP2S1, SULT1E1, SKP1 KDM4E 669/4885ALDH1A1 704/4885HTT 2556/4885
US-20080139388-A1 Synergistic Insecticide Mixtures MAT2B, DDT, MSRB3 KDM4E 1504/4885ALDH1A1 3522/4885HTT 921/4885
US-20090156399-A1 Synergistic Insecticide Mixtures NISCH, SCN3A, CYP51A1 KDM4E 3525/4885ALDH1A1 3702/4885HTT 3699/4885
US-20080261811-A1 Synergistic Mixtures Exhibiting Insecticidal and Fungicidal Action MLX, BROX, BMX KDM4E 1634/4885ALDH1A1 3734/4885HTT 3868/4885

“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.