SCHEMBL23914401

SCHEMBL23914401

Cc1ccc([C@@H]2[C@H](CN(C)C)C(=O)O[C@@H]2c2ccc(C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOB P27338 1/20 0.33
METAP1 P53582 2/20 0.33
HDAC4 P56524 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
ADCY2 Q08462 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31

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
SCHEMBL23914260 0.96 HDAC4 (0.39) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL23914089 0.91 MAPT (0.39) ALDH1A1MEN1KMT2AMAOBADCY2
SCHEMBL23914063 0.91 MAPT (0.39) ALDH1A1MEN1KMT2AMAOBADCY2
SCHEMBL23914327 0.89 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL23914311 0.87 CTRB1 (0.35) MEN1KMT2AMETAP1SLC6A2SLC6A4
SCHEMBL23914312 0.87 CTRB1 (0.35) MEN1KMT2AMETAP1SLC6A2SLC6A4
SCHEMBL23914440 0.84 MAPT (0.42) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL23914069 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL23914420 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL23913782 0.79 SLC6A4 (0.39) KMT2AMAOBSLC6A2SLC6A4SLC6A3

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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM ALDH1A1 2164/4885LMNA 1955/4885MEN1 1587/4885

“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.