SCHEMBL571382

SCHEMBL571382

O=CCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
EPHX2 P34913 1/20 0.49
CASP3 P42574 2/20 0.44
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL31652687 0.96 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL27928895 0.96 KMT2A (0.70) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL12833414 0.95 KMT2A (0.72) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL1893763 0.92 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31031847 0.92 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL27282863 0.90 KMT2A (0.65) KMT2AEPHX2CASP3
SCHEMBL7402885 0.88 KMT2A (0.66) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL793384 0.88 KMT2A (0.85) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL8273302 0.86 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL26900694 0.86 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5

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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
US-11117915-B2 Antibacterial aminoglycoside analogs Cipla USA, Inc. (US) 2021-09-14 US disclosed
US-11117915-B2 Antibacterial aminoglycoside analogs Cipla USA, Inc. (US) 2021-09-14 US disclosed
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2020-10-08 US disclosed
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2020-10-08 US disclosed
CN-106188175-B Treatment of klebsiella pneumoniae infections with antibacterial aminoglycoside compounds 轩竹(北京)医药科技有限公司 2020-08-11 CN disclosed
EP-3150617-B1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS CIPLA USA INC (US) 2020-04-08 EP disclosed
US-RE47741-E1 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2019-11-26 US disclosed
US-RE47741-E1 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2019-11-26 US disclosed
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
CN-101868472-A Antibacterial aminoglycoside analogs ACHAOGEN INC 2010-10-20 CN disclosed
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 US disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 US disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 US disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 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 (4 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-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 KMT2A 3053/4885EPHX2 4312/4885CASP3 924/4885
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 KMT2A 3053/4885EPHX2 4312/4885CASP3 924/4885
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 KMT2A 3787/4885EPHX2 3147/4885CASP3 3920/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 KMT2A 3053/4885EPHX2 4312/4885CASP3 924/4885

“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.