SCHEMBL22380609

SCHEMBL22380609

CC(C)(C)OC(=O)NCC(F)(F)Cc1nn[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
GFER P55789 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 1/20 0.34
RBP4 P02753 1/20 0.34
RORC P51449 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
SCHEMBL1304462 0.80 KDM4E (0.48) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL1467959 0.78 NPSR1 (0.51) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL14744344 0.70 TDP1 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL13449471 0.70 TDP1 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL4151784 0.69 TDP1 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL1233767 0.69 TDP1 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL22950318 0.69 TDP1 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL12698678 0.68 TDP1 (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL4202727 0.68 TDP1 (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL843323 0.68 TDP1 (0.48) CA12CA1CA2CA9KDM4E

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-20200268730-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-08-27 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-20200268730-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 KDM6B 2038/4885KDM4A 2670/4885KDM5A 3533/4885

“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.