SCHEMBL22308525

SCHEMBL22308525

CC(C)(N)CC(C)(C)N1C(=O)C=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
FAAH O00519 1/20 0.30

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
SCHEMBL18533846 0.86 MGLL (0.40) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL1578819 0.82 MGLL (0.37) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL18431250 0.78 MGLL (0.34) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL17897015 0.78 MGLL (0.34) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL23900402 0.78 MGLL (0.35) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL21000173 0.78 MGLL (0.31) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL21776243 0.77 MGLL (0.37) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL23132261 0.77 MGLL (0.38) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL21000176 0.76 ALDH1A1 (0.31) MGLLGMNNALDH1A1LMNAMAPT
SCHEMBL21000172 0.75 LMNA (0.32) MGLLGMNNALDH1A1LMNAMAPT

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
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 EP disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 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-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 MGLL 4801/4885GMNN 4833/4885ALDH1A1 1287/4885

“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.