SCHEMBL2127495

SCHEMBL2127495

CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CC3)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.77
KDM4E B2RXH2 17/20 0.77
HPGD P15428 13/20 0.77
HSD17B10 Q99714 12/20 0.77
NPSR1 Q6W5P4 4/20 0.77
TSHR P16473 6/20 0.68
LMNA P02545 4/20 0.68
ALOX15 P16050 4/20 0.68
HTT P42858 3/20 0.68
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
MAPT P10636 4/20 0.59
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52

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
SCHEMBL2127343 0.86 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL12595343 0.83 KDM4E (0.79) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL2128164 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL12594521 0.81 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL3625956 0.78 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL2127640 0.77 KMT2A (0.68) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL2126105 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL12595339 0.73 KDM4E (0.73) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL13496443 0.73 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL30307339 0.72 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185507-B1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-04-25 EP claimed
US-20100144785-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO) ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER SAS (FR) 2010-06-10 US claimed
EP-2185507-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES Bayer CropScience SA (FR) 2010-05-19 EP claimed
WO-2009016221-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-02-05 WO claimed
US-8226966-B2 Fungicide N-6-membered fused (hetero) aryl-methylene-N-cycloalkyl carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-07-24 US disclosed
EP-2185507-B1 FUNGICIDE N-6-MEMBERED FUSED (HETERO)ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-04-25 EP disclosed
US-20100144785-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO) ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES BAYER SAS (FR) 2010-06-10 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 (1 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-20100144785-A1 FUNGICIDE N-6-MEMBERED FUSED (HETERO) ARYL-METHYLENE-N-CYCLOALKYL CARBOXAMIDE DERIVATIVES CBR3, NRDC, CBR1 ALDH1A1 2589/4885KDM4E 2338/4885HPGD 3223/4885

“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.