SCHEMBL6421163

SCHEMBL6421163

Cc1nn(CCNC(=O)OC(C)(C)C)c(COc2ccc(F)cc2)c1Sc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
DYRK1A Q13627 1/20 0.36
BRD4 O60885 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
DRD2 P14416 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL6417508 0.91 BRD4 (0.39) MAPTDYRK1ABRD4CCNT1CDK9
SCHEMBL6416100 0.89 MAPT (0.39) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6417474 0.89 MAPT (0.39) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6416980 0.88 MAPT (0.39) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6418077 0.86 MAPT (0.45) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6418080 0.85 MAPT (0.40) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6416052 0.85 MAPT (0.40) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6417674 0.83 MAPT (0.39) MAPTBRD4CCNT1CDK9POLB
SCHEMBL6417839 0.83 CCNT1 (0.41) MAPTDYRK1ABRD4CCNT1CDK9
SCHEMBL6419051 0.81 MAPT (0.39) MAPTBRD4POLBGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B MAPT 4451/4885CA12 4385/4885CA1 4105/4885

“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.