SCHEMBL5560486

SCHEMBL5560486

O=C(Oc1c(Cl)cccc1[N+](=O)[O-])c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 6/20 0.46
PTGES O14684 1/20 0.46
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CRHBP P24387 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
SCHEMBL5565836 0.93 ALOX5 (0.50) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL5564489 0.86 ALOX5 (0.40) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL4655813 0.84 ALOX5 (0.47) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL5566606 0.83 ALOX5 (0.57) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL4625532 0.83 ALOX5 (0.44) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL4626738 0.82 ALOX5 (0.58) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL4624932 0.82 ALOX5 (0.49) MAPTPOLBALOX5PTGESKDM4E
SCHEMBL4625346 0.80 ALOX5 (0.64) MAPTPOLBALOX5PTGESKDM4E
SCHEMBL4626114 0.79 MAPT (0.46) MAPTALOX5PTGESKDM4ETDP1
SCHEMBL4625153 0.79 ALOX5 (0.64) MAPTALOX5PTGESKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
EP-1635812-A2 BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US disclosed
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
WO-2005004799-A2 β-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-01-20 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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL MAPT 1569/4885POLB 1187/4885ALOX5 1853/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA MAPT 2925/4885POLB 625/4885ALOX5 615/4885

“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.