SCHEMBL4625337

SCHEMBL4625337

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

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL29606235 0.93 RXFP1 (0.47) RXFP1MAPTLMNAKMT2AMEN1
SCHEMBL4624917 0.93 RXFP1 (0.47) RXFP1MAPTLMNAKMT2AMEN1
SCHEMBL4626752 0.90 KMT2A (0.50) RXFP1MAPTLMNAKMT2APKM
SCHEMBL4626682 0.90 KMT2A (0.47) RXFP1MAPTLMNAKMT2AMEN1
SCHEMBL29618234 0.84 ALOX5 (0.47) RXFP1MAPTKMT2AALDH1A1RAB9A
SCHEMBL8299924 0.84 ALOX5 (0.47) RXFP1MAPTKMT2AALDH1A1RAB9A
SCHEMBL4626114 0.82 MAPT (0.46) MAPTKMT2AALDH1A1KDM4ERAB9A
SCHEMBL13625637 0.80 PRKCA (0.61) RXFP1MAPTLMNAKMT2AMEN1
SCHEMBL4625115 0.80 ALOX5 (0.44) MAPTKMT2AALDH1A1RAB9AHTT
SCHEMBL8299629 0.80 HTT (0.42) MAPTKMT2AMEN1ALDH1A1HTT

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 RXFP1 4111/4885MAPT 1569/4885LMNA 1697/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA RXFP1 3827/4885MAPT 2925/4885LMNA 1380/4885

“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.