SCHEMBL6791870

SCHEMBL6791870

COC(=O)c1c2c(nn1CCNC(=O)OC(C)(C)C)-c1cc(-c3cccc([N+](=O)[O-])c3)c(OC)cc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
DRD2 P14416 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
BRD4 O60885 1/20 0.35
ABCB1 P08183 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL6786904 0.96 BRD4 (0.38) SLC6A4DRD2AKR1C3AKR1C2BRD4
SCHEMBL6792605 0.94 AKR1C3 (0.37) SLC6A4DRD2AKR1C3AKR1C2BRD4
SCHEMBL6787745 0.90 DRD2 (0.37) DRD2AKR1C3AKR1C2BRD4ABCB1
SCHEMBL6793376 0.88 BRD4 (0.39) DRD2BRD4ABCB1CYP11B1CYP11B2
SCHEMBL6791129 0.85 DRD2 (0.40) DRD2BRD4CYP11B1CYP11B2
SCHEMBL6792668 0.84 DRD2 (0.39) DRD2BRD4
SCHEMBL6791787 0.83 DRD2 (0.38) DRD2AKR1C3AKR1C2BRD4CYP11B1
SCHEMBL6794415 0.82 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2
SCHEMBL6793730 0.82 DRD2 (0.38) DRD2BRD4CYP11B1CYP11B2
SCHEMBL6792678 0.82 BRD4 (0.37) DRD2BRD4ABCB1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 SLC6A4 4726/4885DRD2 4396/4885AKR1C3 2313/4885

“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.