SCHEMBL23619201

SCHEMBL23619201

COC(=O)NCNc1ccc(C(=O)c2ccccc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.49
ALDH1A1 P00352 6/20 0.48
GAA P10253 6/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 3/20 0.48
THRB P10828 2/20 0.48
GFER P55789 2/20 0.48
PLEC Q15149 1/20 0.48
MAPK1 P28482 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK13 O15264 2/20 0.42

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
SCHEMBL11232162 0.77 VNN1 (0.52) PTGER4ALDH1A1GAAKDM4EMAPT
SCHEMBL9725455 0.77 VNN1 (0.57) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL11232662 0.76 ALDH1A1 (0.54) PTGER4ALDH1A1GAAKDM4EMAPT
SCHEMBL11267256 0.76 PRKCI (0.65) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL11791826 0.74 PTGER4 (0.55) PTGER4GAAMAPTHPGDMAPK1
SCHEMBL11796617 0.74 GAA (0.50) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL11789120 0.74 ALDH1A1 (0.58) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL11803700 0.73 ALDH1A1 (0.61) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL5869074 0.73 ABCC9 (0.48) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL4286847 0.72 GAA (0.77) ALDH1A1GAAKDM4EMAPTHPGD

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-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

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-20210205271-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY CYP3A43, CYP3A4, CYP4B1 PTGER4 1333/4885ALDH1A1 959/4885GAA 395/4885

“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.