SCHEMBL4626752

SCHEMBL4626752

O=C(OCc1ccccc1)c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.49
ALOX5 P09917 1/20 0.49
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.47
PDE1C Q14123 1/20 0.46
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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) KMT2AHTTALOX5RAB9AALDH1A1
SCHEMBL29606235 0.90 RXFP1 (0.47) KMT2AHTTALOX5RAB9AALDH1A1
SCHEMBL4625337 0.90 RXFP1 (0.56) KMT2AHTTRAB9AALDH1A1MAPT
SCHEMBL8299924 0.89 ALOX5 (0.47) KMT2AHTTALOX5RAB9AALDH1A1
SCHEMBL29618234 0.89 ALOX5 (0.47) KMT2AHTTALOX5RAB9AALDH1A1
SCHEMBL12856432 0.88 ALOX5 (0.61) KMT2ASLC6A2SLC6A3TDP1HTT
SCHEMBL5335470 0.88 KMT2A (0.60) KMT2ASLC6A2SLC6A3TDP1HTT
SCHEMBL4626682 0.87 KMT2A (0.47) KMT2AHTTALOX5ALDH1A1MAPT
SCHEMBL4625115 0.84 ALOX5 (0.44) KMT2AHTTALOX5RAB9AALDH1A1
SCHEMBL8561986 0.84 KMT2A (0.55) KMT2ASLC6A2SLC6A3TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 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 (1 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 3018/4885SLC6A2 4741/4885SLC6A3 4398/4885

“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.