SCHEMBL21265770

SCHEMBL21265770

COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1COP(=O)(O)OCOC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.42
ITK Q08881 5/20 0.40
EHMT1 Q9H9B1 1/20 0.39
ABCC4 O15439 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDR P35968 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
STING1 Q86WV6 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 3/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL30514376 0.99 EHMT2 (0.41) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL23610934 0.94 EHMT2 (0.41) EHMT2ITKEHMT1USP2ALDH1A1
SCHEMBL23619385 0.91 EHMT2 (0.41) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL21265863 0.89 EHMT2 (0.45) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL30514369 0.89 EHMT2 (0.45) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL21265768 0.89 EHMT2 (0.42) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL25313786 0.86 EHMT2 (0.42) EHMT2ITKEHMT1STING1KDM4E
SCHEMBL25887834 0.85 EHMT2 (0.40) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL30514367 0.84 EHMT2 (0.49) EHMT2ITKEHMT1ABCC4USP2
SCHEMBL1193205 0.84 EHMT2 (0.49) EHMT2ITKEHMT1ABCC4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712435-B2 Mebendazole prodrugs with enhanced solubility and oral bioavailability THE JOHNS HOPKINS UNIVERSITY (US) 2023-08-01 US disclosed
US-11712435-B2 Mebendazole prodrugs with enhanced solubility and oral bioavailability THE JOHNS HOPKINS UNIVERSITY (US) 2023-08-01 US disclosed
US-20210205271-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. 2021-07-08 US disclosed
WO-2019157338-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY THE JOHNS HOPKINS UNIVERSITY (US) 2019-08-15 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 (2 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-11712435-B2 Mebendazole prodrugs with enhanced solubility and oral bioavailability CYP3A43, CYP3A4, CYP4B1 EHMT2 3071/4885ITK 4823/4885EHMT1 3461/4885
US-20210205271-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY CYP3A43, CYP3A4, CYP4B1 EHMT2 3071/4885ITK 4823/4885EHMT1 3461/4885

“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.