SCHEMBL1684002

SCHEMBL1684002

CN(CCCC(=O)c1cccnc1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
PLOD2 O00469 2/20 0.47
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 2/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1679777 0.94 HDAC1 (0.47) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL14443343 0.83 HDAC1 (0.57) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL19582860 0.82 HDAC1 (0.56) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL4962574 0.80 HDAC1 (0.57) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL3210526 0.80 HDAC1 (0.61) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL454516 0.80 HDAC1 (0.53) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL29367901 0.80 HDAC1 (0.53) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL19958136 0.78 HDAC1 (0.52) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL23265005 0.78 PLOD2 (0.56) HDAC1HDAC8PLOD2PLOD3PLOD1
SCHEMBL31686043 0.78 PLOD2 (0.56) HDAC1HDAC8PLOD2PLOD3PLOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611715-B2 Agaricus extract for preventing the induction or metastasis of cancer SSI CO., LTD. (JP) 2009-11-03 US claimed
US-20070184066-A1 AGARICUS EXTRACT FOR PREVENTING THE INDUCTION OR METASTASIS OF CANCER SSI CO., LTD. (JP) 2007-08-09 US claimed
US-20060093618-A1 Agaricus blazei murill extract capable for preventing cancer induction or metastasis SSI CO., LTD. (JP) 2006-05-04 US claimed
EP-1535621-A1 AGARICUS BLAZEI MURILL EXTRACT CAPABLE OF PREVENTING CANCER INDUCTION OR METASTASIS Kyowa Engineering Co., Ltd. (JP) 2005-06-01 EP claimed
US-20190015484-A1 NICOTINE-DEGRADING ENZYMES FOR TREATING NICOTINE ADDICTION AND NICOTINE POISONING THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-17 US disclosed
US-20170022288-A9 PANCREATIC CANCER ASSOCIATED ANTIGEN, ANTIBODY THERETO, AND DIAGNOSTIC AND TREATMENT METHODS MICHL JOSEF (US) 2017-01-26 US disclosed
WO-2016167605-A2 METHOD FOR INHIBITING LUNG CANCER OF SMOKERS AND NON-SMOKERS USING HYPERTENSION MEDICINE 서울대학교 산학협력단 2016-10-20 WO disclosed
US-20160083475-A1 PANCREATIC CANCER ASSOCIATED ANTIGEN, ANTIBODY THERETO, AND DIAGNOSTIC AND TREATMENT METHODS MICHL JOSEF (US) 2016-03-24 US disclosed
US-8969544-B2 Combined use of PRAME inhibitors and HDAC inhibitors BERNARDS RENé (NL) 2015-03-03 US disclosed
EP-1711210-B1 COMBINED USE OF PRAME INHIBITORS AND HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2013-12-11 EP disclosed
US-20130123327-A1 COMBINED USE OF PRAME INHIBITORS AND HDAC INHIBITORS BERNARDS RENE (NL) 2013-05-16 US disclosed
US-7928081-B2 biodrugs contains siRNA or vector encoding siRNA, including a retinoid as antitumor agents, anticarcinogenic agents Bernards, Rene (NL) 2011-04-19 US disclosed
US-7611715-B2 Agaricus extract for preventing the induction or metastasis of cancer SSI CO., LTD. (JP) 2009-11-03 US disclosed
US-20080119424-A1 Combined Use of Prame Inhibitors and Hdac Inhibitors BERNARDS RENE 2008-05-22 US disclosed
US-20070184066-A1 AGARICUS EXTRACT FOR PREVENTING THE INDUCTION OR METASTASIS OF CANCER SSI CO., LTD. (JP) 2007-08-09 US disclosed
US-20060258841-A1 Pancreatic cancer associated antigen, antibody thereto, and diagnostic and treatment methods RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-11-16 US disclosed
US-20060093618-A1 Agaricus blazei murill extract capable for preventing cancer induction or metastasis SSI CO., LTD. (JP) 2006-05-04 US disclosed
CN-1761482-A The antigen relevant with cancer of pancreas, at its antibody and diagnosis and Therapeutic Method UNIV NEW YORK (US) 2006-04-19 CN disclosed
EP-1535621-A1 AGARICUS BLAZEI MURILL EXTRACT CAPABLE OF PREVENTING CANCER INDUCTION OR METASTASIS Kyowa Engineering Co., Ltd. (JP) 2005-06-01 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 (6 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-20130123327-A1 COMBINED USE OF PRAME INHIBITORS AND HDAC INHIBITORS HDAC5, HDAC8, HDAC11 HDAC1 7/4885HDAC8 2/4885PLOD2 4025/4885
US-20190015484-A1 NICOTINE-DEGRADING ENZYMES FOR TREATING NICOTINE ADDICTION AND NICOTINE POISONING ENGASE, NAPRT, ACHE HDAC1 139/4885HDAC8 830/4885PLOD2 1769/4885
US-20170022288-A9 PANCREATIC CANCER ASSOCIATED ANTIGEN, ANTIBODY THERETO, AND DIAGNOSTIC AND TREATMENT METHODS RNASE1, AMY2A, PA2G4 HDAC1 3772/4885HDAC8 3382/4885PLOD2 1886/4885
US-20080119424-A1 Combined Use of Prame Inhibitors and Hdac Inhibitors HDAC5, HDAC8, HDAC11 HDAC1 7/4885HDAC8 2/4885PLOD2 4025/4885
US-20160083475-A1 PANCREATIC CANCER ASSOCIATED ANTIGEN, ANTIBODY THERETO, AND DIAGNOSTIC AND TREATMENT METHODS RNASE1, AMY2A, PA2G4 HDAC1 3772/4885HDAC8 3382/4885PLOD2 1886/4885
US-20060258841-A1 Pancreatic cancer associated antigen, antibody thereto, and diagnostic and treatment methods RNASE1, AMY2A, PA2G4 HDAC1 3772/4885HDAC8 3382/4885PLOD2 1886/4885

“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.