SCHEMBL4626682

SCHEMBL4626682

O=C(OCc1cccc(Cl)c1)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALOX5 P09917 2/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4624917 0.90 RXFP1 (0.47) KMT2ARXFP1MAPTMEN1LMNA
SCHEMBL4625337 0.90 RXFP1 (0.56) KMT2ARXFP1MAPTMEN1LMNA
SCHEMBL29606235 0.90 RXFP1 (0.47) KMT2ARXFP1MAPTMEN1LMNA
SCHEMBL4626752 0.87 KMT2A (0.50) KMT2ARXFP1MAPTLMNAPKM
SCHEMBL4626114 0.84 MAPT (0.46) KMT2AMAPTALOX5HTTKDM4E
SCHEMBL8299924 0.81 ALOX5 (0.47) KMT2ARXFP1MAPTALOX5HTT
SCHEMBL29618234 0.81 ALOX5 (0.47) KMT2ARXFP1MAPTALOX5HTT
SCHEMBL4625115 0.77 ALOX5 (0.44) KMT2AMAPTALOX5HTTALDH1A1
SCHEMBL4625110 0.77 ALOX5 (0.55) KMT2AMAPTMEN1LMNAALOX5
SCHEMBL5565836 0.76 ALOX5 (0.50) KMT2AL3MBTL1MAPTMEN1LMNA

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 KMT2A 3018/4885L3MBTL1 968/4885RXFP1 4111/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA KMT2A 1341/4885L3MBTL1 278/4885RXFP1 3827/4885

“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.