SCHEMBL4625145

SCHEMBL4625145

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.61
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 1/20 0.52
HGFAC Q04756 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
PTGES O14684 1/20 0.47

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
SCHEMBL4625149 0.97 ALOX5 (0.64) ALOX5KMT2APKMMAPTGAA
SCHEMBL4626181 0.91 ALOX5 (0.57) ALOX5KMT2APKMMAPTGAA
SCHEMBL5560476 0.91 ALOX5 (0.57) ALOX5KMT2APKMMAPTGAA
SCHEMBL4625128 0.90 ALOX5 (0.76) ALOX5KMT2APKMMAPTGAA
SCHEMBL14586194 0.90 ALOX5 (0.57) ALOX5KMT2APKMMAPTGAA
SCHEMBL4626142 0.88 ALOX5 (0.57) ALOX5KMT2APKMMAPTGAA
SCHEMBL4625346 0.88 ALOX5 (0.64) ALOX5KMT2AMAPTGAAHGFAC
SCHEMBL26355082 0.87 ALOX5 (0.79) ALOX5KMT2APKMMAPTGAA
SCHEMBL4625225 0.86 ALOX5 (0.58) ALOX5KMT2AMAPTGAAPOLB
SCHEMBL5560556 0.85 NPC1 (0.54) ALOX5KMT2APKMMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP 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
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP 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-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 1853/4885KMT2A 3018/4885PKM 3060/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA ALOX5 615/4885KMT2A 1341/4885PKM 3360/4885

“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.