SCHEMBL422645

SCHEMBL422645

O=C(NCCP(=O)(O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
EPHX2 P34913 1/20 0.50
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 2/20 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
SCHEMBL30761547 0.87 KMT2A (0.59) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL8485486 0.87 KMT2A (0.59) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL4740795 0.86 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
Phosphoric Acid SCHEMBL22468200 0.85 KMT2A (0.60) KMT2AEPHX2FABP7FABP5MDM4
Hydrochloric Acid SCHEMBL5030802 0.85 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL30987806 0.84 KMT2A (0.59) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL29359416 0.84 KMT2A (0.59) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL17143722 0.84 KMT2A (0.59) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL697928 0.84 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL693424 0.84 KMT2A (0.69) KMT2AEPHX2FABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 US disclosed
EP-3566719-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES Cerulean Pharma Inc. (US) 2019-11-13 EP disclosed
US-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. 2018-07-12 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2015-05-21 US disclosed
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2015-05-21 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
WO-2011031865-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-03-17 WO disclosed
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP 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 (8 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS KMT2A 2659/4885EPHX2 3560/4885FABP7 4459/4885
US-20180193486-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 KMT2A 3696/4885EPHX2 380/4885FABP7 2191/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP KMT2A 4297/4885EPHX2 1870/4885FABP7 3420/4885
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A KMT2A 4245/4885EPHX2 886/4885FABP7 1396/4885
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC KMT2A 4529/4885EPHX2 1155/4885FABP7 308/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS KMT2A 2659/4885EPHX2 3560/4885FABP7 4459/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC KMT2A 4529/4885EPHX2 1155/4885FABP7 308/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC KMT2A 4529/4885EPHX2 1155/4885FABP7 308/4885

“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.