SCHEMBL21265766

SCHEMBL21265766

COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1COC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.42
ABCC4 O15439 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDR P35968 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
ITK Q08881 12/20 0.42
EHMT1 Q9H9B1 1/20 0.39
INSR P06213 2/20 0.38
STING1 Q86WV6 3/20 0.37
TXK P42681 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 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
SCHEMBL23610928 1.00 EHMT2 (0.42) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL25889293 0.91 EHMT2 (0.42) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL23619291 0.90 EHMT2 (0.44) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL21265764 0.87 EHMT2 (0.46) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL21265726 0.86 EHMT2 (0.47) EHMT2ABCC4USP2ALDH1A1ABL1
Hydrochloric Acid SCHEMBL23610932 0.86 EHMT2 (0.46) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL25887858 0.85 EHMT2 (0.47) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL21265754 0.84 EHMT2 (0.43) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL30514364 0.83 PPARG (0.42) EHMT2ABCC4USP2ALDH1A1ABL1
SCHEMBL25887908 0.83 PPARG (0.42) EHMT2ABCC4USP2ALDH1A1ABL1

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 6 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-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
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 3071/4885ABCC4 284/4885USP2 2299/4885
US-20210205271-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY CYP3A43, CYP3A4, CYP4B1 EHMT2 3071/4885ABCC4 284/4885USP2 2299/4885

“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.