SCHEMBL1612197

SCHEMBL1612197

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HINT1 P49773 5/20 0.35
POLA1 P09884 1/20 0.35
HPGD P15428 2/20 0.34
ADORA2A P29274 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LARS1 Q9P2J5 1/20 0.32
SARS1 P49591 1/20 0.32
ADA P00813 1/20 0.32

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
SCHEMBL1612198 0.81 KDM4E (0.52) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL12714778 0.81 KDM4E (0.52) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL24181915 0.80 KDM4E (0.56) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL26347587 0.80 KDM4E (0.56) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL29138074 0.79 KDM4E (0.58) KDM4ETAS1R3TAS1R1POLA1HPGD
SCHEMBL22337173 0.79 KDM4E (0.54) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL20654966 0.79 KDM4E (0.54) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL22337233 0.79 KDM4E (0.54) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL19127787 0.79 KDM4E (0.54) KDM4ETAS1R3TAS1R1HINT1POLA1
SCHEMBL29870290 0.79 KDM4E (0.54) KDM4ETAS1R3TAS1R1HINT1POLA1

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.