SCHEMBL5565836

SCHEMBL5565836

O=C(Oc1c(Cl)cccc1Cl)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.50
PTGES O14684 1/20 0.50
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL5560486 0.93 MAPT (0.46) ALOX5PTGESKDM4ETDP1HTT
SCHEMBL4625532 0.90 ALOX5 (0.44) ALOX5PTGESKDM4ETDP1HTT
SCHEMBL4655813 0.88 ALOX5 (0.47) ALOX5PTGESKDM4ETDP1HTT
SCHEMBL5566606 0.88 ALOX5 (0.57) ALOX5PTGESKDM4ETDP1LMNA
SCHEMBL4624932 0.86 ALOX5 (0.49) ALOX5PTGESKDM4ETDP1HTT
SCHEMBL4625346 0.84 ALOX5 (0.64) ALOX5PTGESKDM4ETDP1GAA
SCHEMBL4626114 0.83 MAPT (0.46) ALOX5PTGESKDM4ETDP1HTT
SCHEMBL5564489 0.83 ALOX5 (0.40) ALOX5PTGESKDM4ETDP1HTT
SCHEMBL4625153 0.83 ALOX5 (0.64) ALOX5PTGESKDM4ETDP1L3MBTL1
SCHEMBL4625149 0.82 ALOX5 (0.64) ALOX5PTGESKDM4ETDP1GAA

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 ALOX5 1853/4885PTGES 3012/4885KDM4E 2334/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA ALOX5 615/4885PTGES 2160/4885KDM4E 1449/4885

“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.