SCHEMBL8575829

SCHEMBL8575829

CCOc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
LMNA P02545 3/20 0.63
CYP1A2 P05177 2/20 0.63
MEN1 O00255 2/20 0.63
POLB P06746 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 4/20 0.61
FAAH O00519 2/20 0.60
MAPT P10636 5/20 0.58
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 4/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL3335259 0.88 FAAH (0.62) FAAH
SCHEMBL13637520 0.88 FAAH (0.62) ALDH1A1FAAHMAPTKDM4ERAB9A
SCHEMBL4856473 0.87 EPHX2 (0.54) KMT2ALMNACYP1A2MEN1POLB
SCHEMBL26079042 0.86 CYP17A1 (0.50) KMT2ALMNACYP1A2MEN1POLB
SCHEMBL627043 0.86 ALDH1A1 (0.53) KMT2ALMNACYP1A2MEN1POLB
SCHEMBL14155359 0.84 KMT2A (0.56) KMT2ALMNACYP1A2MEN1POLB
SCHEMBL14037478 0.84 POLB (0.52) KMT2ALMNACYP1A2MEN1POLB
SCHEMBL594716 0.84 CYP17A1 (0.52) ALDH1A1FAAH
SCHEMBL13827429 0.84 CYP17A1 (0.49) KMT2ALMNACYP1A2MEN1TDP1
SCHEMBL3616219 0.84 MAPT (0.57) KMT2AMEN1ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
CN-105377834-B The derivative of dolastatin 10 and Ao Li statins 皮埃尔法布雷医药公司 2018-04-20 CN disclosed
CN-106470708-A Antibody-drug-conjugates and their use for the treatment of cancer 皮埃尔法布雷医药公司 2017-03-01 CN disclosed
CN-106456800-A IGF-1R antibody-drug-conjugates and uses thereof for the treatment of cancer 皮埃尔法布雷医药公司 2017-02-22 CN disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 EP disclosed
US-7638558-B2 drug loaded micelle of a triblock polymer tert-butylphenylsilylpropene-polyethylene glycol-b-poly(tert-butylaspartic acid-b-polyphenylalanine-copoly( tert-buyltyrosine) has a drug-loaded inner core, a crosslinked outer core, and a hydrophilic shell INTEZYNE TECHNOLOGIES, INC. (US) 2009-12-29 US disclosed
US-7618944-B2 Encapsulating in micelle which is a block copolymer containing hydrophilic and hydrophobic blocks INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-17 US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
CN-100482665-C Pyrazolo [1, 5-a ] pyrimidine derivatives TEIJIN PHARMA LTD (JP) 2009-04-29 CN disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
CN-1780840-A Pyrazolo [1, 5-a ] pyrimidine derivatives TEIJIN PHARMA LTD (JP) 2006-05-31 CN disclosed
US-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
CN-1155539-A Endothelin receptor antagonists MERCK PATENT GMBH (DE) 1997-07-30 CN disclosed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 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 (3 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-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 KMT2A 2733/4885LMNA 3526/4885CYP1A2 59/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR KMT2A 4844/4885LMNA 879/4885CYP1A2 4826/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 KMT2A 2733/4885LMNA 3526/4885CYP1A2 59/4885

“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.