SCHEMBL10067494

SCHEMBL10067494

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC(OC(=O)NCC(=O)OCc3ccccc3)[C@@H](COC(=O)n3ccnc3)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
HINT1 P49773 2/20 0.37
POLA1 P09884 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TYMP P19971 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RY1 P47900 1/20 0.32
NT5E P21589 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL15166247 1.00 KDM4E (0.49) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL10068164 0.92 KDM4E (0.55) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL15166036 0.92 KDM4E (0.55) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL10067497 0.92 KDM4E (0.55) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL15166032 0.89 KDM4E (0.53) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL10067865 0.89 KDM4E (0.63) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL15164161 0.89 KDM4E (0.63) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL10068165 0.87 KDM4E (0.59) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL10067718 0.86 KDM4E (0.50) KDM4EHINT1POLA1TAS1R3TAS1R1
SCHEMBL15164162 0.86 KDM4E (0.50) KDM4EHINT1POLA1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133231-B2 Compounds for treating bacterial infections YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-09-15 US disclosed
US-20130203694-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-08-08 US disclosed
WO-2012017434-A2 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2012-02-09 WO 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-20130203694-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS REL, RELA, RRP1B KDM4E 2841/4885HINT1 2636/4885POLA1 1597/4885

“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.