SCHEMBL20568522

SCHEMBL20568522

COC(=O)c1[nH]c([N+](=O)[O-])cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 7/20 0.37
MEN1 O00255 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
COMT P21964 1/20 0.36
MAPK14 Q16539 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL11503297 0.82 KMT2A (0.40) TDP1MAPTPOLBLMNAKMT2A
SCHEMBL3339408 0.75 MAPK14 (0.40) MAPTLMNAHTTGAAALDH1A1
SCHEMBL20568972 0.74 GAA (0.45) MAPTHTTGAAALDH1A1MAPK14
SCHEMBL20569123 0.73 PTGS2 (0.52) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL3029318 0.71 NGFR (0.42) TDP1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3031984 0.71 CYP1A2 (0.40) MAPTLMNAHTTGAAALDH1A1
SCHEMBL3035325 0.71 CYP1A2 (0.40) MAPTLMNAHTTGAAALDH1A1
SCHEMBL3024994 0.70 GAA (0.41) MAPTLMNAKMT2AHTTGAA
SCHEMBL3017649 0.70 MAPK1 (0.39) MAPTGAAALDH1A1MAPK14MAPK1
SCHEMBL3027631 0.69 GAA (0.41) MAPTLMNAKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI TDP1 3119/4885MAPT 2741/4885POLB 342/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI TDP1 3119/4885MAPT 2741/4885POLB 342/4885

“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.