SCHEMBL2033677

SCHEMBL2033677

CCOC(=N)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ABCB1 P08183 1/20 0.46
KEAP1 Q14145 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALOX5 P09917 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
Hydrochloric Acid SCHEMBL2033675 0.98 L3MBTL1 (0.49) L3MBTL1TDP1ALDH1A1ABCB1KEAP1
SCHEMBL27207840 0.89 ALOX5 (0.51) L3MBTL1TDP1SMN1; SMN2ALOX5HDAC3
SCHEMBL27207879 0.81 NAMPT (0.49) L3MBTL1ALDH1A1MAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL27207834 0.80 NAMPT (0.48) ALDH1A1SMN1; SMN2KMT2ACYP4F2CYP4A11
SCHEMBL3248618 0.80 ALDH1A1 (0.50) TDP1ALDH1A1KEAP1MAPTSMN1; SMN2
SCHEMBL506200 0.80 KMT2A (0.43) L3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13015860 0.79 L3MBTL1 (0.52) L3MBTL1TDP1ALDH1A1ABCB1KEAP1
Hydrochloric Acid SCHEMBL3248613 0.78 CMA1 (0.49) TDP1ALDH1A1KEAP1MAPTKMT2A
Bromide SCHEMBL9729336 0.78 KMT2A (0.42) L3MBTL1ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL506846 0.78 KMT2A (0.42) L3MBTL1ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667265-A CGAS-inhibiting triazolopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-9522194-B2 Methods of using monomethylvaline compositions having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2016-12-20 US disclosed
US-9522194-B2 Methods of using monomethylvaline compositions having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2016-12-20 US disclosed
US-20150044238-A1 METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2015-02-12 US disclosed
US-20150044238-A1 METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2015-02-12 US disclosed
US-8871720-B2 Monomethylvaline compounds having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2014-10-28 US disclosed
US-8871720-B2 Monomethylvaline compounds having phenylalanine carboxy modifications at the C-terminus SEATTLE GENETICS, INC. (US) 2014-10-28 US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
WO-2011076687-A1 PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-30 WO disclosed
EP-2222637-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-09-01 EP disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
WO-2009079392-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-25 WO disclosed
WO-2009079392-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-25 WO disclosed
US-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus SEATTLE GENECTICS, INC. (US) 2009-04-30 US disclosed
US-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus SEATTLE GENECTICS, INC. (US) 2009-04-30 US disclosed
WO-2007008848-A2 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 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 (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-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus MMAB, PTMS, CAD L3MBTL1 76/4885TDP1 1913/4885ALDH1A1 3118/4885
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 L3MBTL1 2828/4885TDP1 4463/4885ALDH1A1 4249/4885
US-20150044238-A1 METHODS OF USING MONOMETHYLVALINE COMPOSITIONS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS MARS1, PTMS, L3MBTL1 L3MBTL1 3/4885TDP1 1103/4885ALDH1A1 1618/4885

“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.