SCHEMBL1612199

SCHEMBL1612199

CC(C)C(=O)Nc1nc2c(ncn2[C@]2([SiH](C)C)O[C@H](CO)[C@@H](OC(C)(C)C)[C@]2(O)S(N)(=O)=O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6397988 0.83 KDM4E (0.46) KDM4ETAS1R3TAS1R1MEN1TSHR
SCHEMBL25387611 0.78 KDM4E (0.41) KDM4ETAS1R3TAS1R1
SCHEMBL5576828 0.72 KDM4E (0.46) KDM4ETAS1R3TAS1R1MEN1TSHR
SCHEMBL25389668 0.72 KDM4E (0.40) KDM4E
SCHEMBL1612197 0.72 KDM4E (0.51) KDM4ETAS1R3TAS1R1
SCHEMBL6365760 0.71 KDM4E (0.51) KDM4ETAS1R3TAS1R1MEN1TSHR
SCHEMBL25968172 0.71 KDM4E (0.52) KDM4ETAS1R3TAS1R1MEN1TSHR
SCHEMBL7155978 0.70 KDM4E (0.38) KDM4E
SCHEMBL10276803 0.70 TYMP (0.44) KDM4ETAS1R3TAS1R1
SCHEMBL22381973 0.70 KDM4E (0.51) KDM4ETAS1R3TAS1R1MEN1TSHR

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-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2011-04-14 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-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS REL, RELA, NFKB1 KDM4E 2520/4885TAS1R3 4693/4885TAS1R1 4634/4885

“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.