SCHEMBL23610923

SCHEMBL23610923

[CH2]n1c(NC(=O)OC)nc2cc(C(=O)c3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ HTT P42858 4/20 0.52
▸ KDR P35968 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ EHMT2 Q96KQ7 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.42
▸ EHMT1 Q9H9B1 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL21265743 0.83 EHMT2 (0.51) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL1193205 0.79 EHMT2 (0.49) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL30514367 0.79 EHMT2 (0.49) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL25887858 0.79 EHMT2 (0.47) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL21265742 0.78 EHMT2 (0.46) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL21265764 0.77 EHMT2 (0.46) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL21265763 0.77 ABCC4 (0.44) ALDH1A1HTTKDRLMNAABCC4
Hydrochloric Acid SCHEMBL23610932 0.77 EHMT2 (0.46) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL23619186 0.77 EHMT2 (0.46) ALDH1A1HTTKDRLMNAABCC4
SCHEMBL30514369 0.76 EHMT2 (0.45) ALDH1A1HTTKDRLMNAABCC4

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 2 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

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 ALDH1A1 959/4885HTT 4029/4885KDR 4445/4885
US-20210205271-A1 MEBENDAZOLE PRODRUGS WITH ENHANCED SOLUBILITY AND ORAL BIOAVAILABILITY CYP3A43, CYP3A4, CYP4B1 ALDH1A1 959/4885HTT 4029/4885KDR 4445/4885

“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.

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