SCHEMBL20974229

SCHEMBL20974229

CC(C)(C)N(C(=O)O)[C@H](CN)CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
RIPK1 Q13546 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL20480541 1.00 LMNA (0.43) LMNARECQLMEN1KMT2AHTT
SCHEMBL1021850 0.87 LMNA (0.44) LMNARECQLMEN1KMT2AHTT
SCHEMBL18342193 0.87 LMNA (0.47) LMNARECQLMEN1KMT2AHTT
SCHEMBL16862549 0.84 LMNA (0.42) LMNARECQLMEN1KMT2AHTT
SCHEMBL14909569 0.84 ALPI (0.46) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL272595 0.84 ALPI (0.46) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL14909570 0.84 ALPI (0.46) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL18342300 0.82 LMNA (0.45) LMNARECQLMEN1KMT2AHTT
SCHEMBL20974302 0.78 MEN1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL20974355 0.73

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-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 LMNA 1971/4885RECQL 572/4885MEN1 417/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 LMNA 1971/4885RECQL 572/4885MEN1 417/4885

“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.