SCHEMBL23924650

SCHEMBL23924650

CCOC(=O)c1cn(CC)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL20521907 0.89 GSK3A (0.40) LMNAPOLBTDP1SMN1; SMN2ALDH1A1
SCHEMBL28561440 0.81 PRMT5 (0.41) LMNAPOLBALDH1A1KDM4EHPGD
SCHEMBL21815587 0.81 USP30 (0.35) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3979515 0.81 LMNA (0.52) LMNAPOLBTDP1SMN1; SMN2MAPK1
SCHEMBL23653862 0.80 GSK3A (0.35) POLBKMT2AGSK3AGSK3B
SCHEMBL23653863 0.80 GSK3A (0.35) POLBKMT2AGSK3AGSK3B
SCHEMBL3318354 0.80 LMNA (0.53) LMNAPOLBTDP1SMN1; SMN2MAPK1
SCHEMBL3696586 0.79 LMNA (0.64) LMNAPOLBTDP1SMN1; SMN2MAPK1
SCHEMBL5468538 0.79 ALDH1A1 (0.53) LMNAPOLBTDP1SMN1; SMN2MAPK1
SCHEMBL23653866 0.78 KMT2A (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
US-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
CN-113166174-A Free amino compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-23 CN 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-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION ARG1, PNISR, ARGLU1 LMNA 4212/4885POLB 1385/4885TDP1 4380/4885

“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.