SCHEMBL5564489

SCHEMBL5564489

O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.40
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 1/20 0.39
GPR35 Q9HC97 1/20 0.36
GAA P10253 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.34

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
SCHEMBL4625532 0.93 ALOX5 (0.44) ALOX5HTTKDM4ETDP1LMNA
SCHEMBL5560486 0.86 MAPT (0.46) ALOX5HTTKDM4ETDP1LMNA
SCHEMBL4655813 0.84 ALOX5 (0.47) ALOX5HTTKDM4ETDP1LMNA
SCHEMBL5565836 0.83 ALOX5 (0.50) ALOX5HTTKDM4ETDP1LMNA
SCHEMBL14586194 0.77 ALOX5 (0.57) ALOX5KDM4ETDP1SMN1; SMN2PTGES
SCHEMBL5566606 0.76 ALOX5 (0.57) ALOX5KDM4ETDP1LMNAALOX12
SCHEMBL4625149 0.76 ALOX5 (0.64) ALOX5KDM4ETDP1PTGESGAA
SCHEMBL8298548 0.76 ALOX5 (0.43) ALOX5HTTKDM4ETDP1LMNA
SCHEMBL4626738 0.75 ALOX5 (0.58) ALOX5KDM4ETDP1L3MBTL1PTGES
SCHEMBL4624932 0.75 ALOX5 (0.49) ALOX5HTTKDM4ETDP1LMNA

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 1853/4885HTT 2282/4885KDM4E 2334/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA ALOX5 615/4885HTT 4499/4885KDM4E 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.