SCHEMBL21265744

SCHEMBL21265744

COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1COC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
STING1 Q86WV6 8/20 0.46
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
EHMT2 Q96KQ7 2/20 0.43
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
EHMT1 Q9H9B1 1/20 0.39
ITK Q08881 2/20 0.38

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
SCHEMBL30514375 1.00 BRD4 (0.48) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL21265754 0.90 EHMT2 (0.43) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL21265776 0.88 BRD4 (0.40) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL21265777 0.88 BRD4 (0.40) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL30514372 0.88 BRD4 (0.40) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL25887858 0.86 EHMT2 (0.47) STING1CYP2C9EHMT2ABCC4USP2
SCHEMBL30514364 0.85 PPARG (0.42) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL25887908 0.85 PPARG (0.42) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL21265742 0.85 EHMT2 (0.46) BRD4STING1CYP2C9CYP3A4CYP2D6
SCHEMBL25887818 0.85 EHMT2 (0.41) BRD4STING1CYP2C9EHMT2ABCC4

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-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 BRD4 1452/4885STING1 3992/4885CYP2C9 23/4885
US-20210205271-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY CYP3A43, CYP3A4, CYP4B1 BRD4 1452/4885STING1 3992/4885CYP2C9 23/4885

“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.