SCHEMBL536907

SCHEMBL536907

CC(CCO)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.63
BCHE P06276 1/20 0.53
ATM Q13315 2/20 0.51
GAA P10253 1/20 0.51
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.46
OPRK1 P41145 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.43
IDO1 P14902 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL31127843 1.00 SIGMAR1 (0.63) SIGMAR1BCHEATMGAAPOLB
SCHEMBL8908664 0.87 SIGMAR1 (0.58) SIGMAR1BCHEATMGAAPOLB
SCHEMBL1005593 0.84 SIGMAR1 (0.68) SIGMAR1BCHEATMGAAPOLB
SCHEMBL1189292 0.84 SIGMAR1 (0.68) SIGMAR1BCHEATMGAAPOLB
SCHEMBL1005591 0.84 SIGMAR1 (0.68) SIGMAR1BCHEATMGAAPOLB
SCHEMBL10451642 0.82 BCHE (0.71) SIGMAR1BCHEATMGAAOPRK1
SCHEMBL172531 0.82 SIGMAR1 (0.66) SIGMAR1BCHEATMGAAPOLB
SCHEMBL11096038 0.82 BCHE (0.71) SIGMAR1BCHEATMGAAOPRK1
SCHEMBL203279 0.82 L3MBTL1 (0.58) SIGMAR1BCHEATMGAAPOLB
Hydrochloric Acid SCHEMBL27619587 0.81 SIGMAR1 (0.63) SIGMAR1BCHEATMGAAPOLB

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
EP-4573089-A2 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-06-25 EP disclosed
CN-119998275-A KRAS inhibitors 百时美施贵宝公司 2025-05-13 CN disclosed
US-20240199584-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-06-20 US disclosed
WO-2024040109-A2 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-22 WO disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed
CN-101528749-B Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases IND RES LTD 2013-07-31 CN disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases BIOCRYST PHARMACEUTICALS, INC. 2011-06-02 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 WO disclosed
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
CN-101528749-A Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases IND RES LTD (NZ) 2009-09-09 CN disclosed
EP-2057165-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-05-13 EP disclosed
WO-2008077799-A2 COMPOUNDS AND METHODS FOR AMINO-ALKYLENEDIOL SYNTHESIS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO disclosed
WO-2008030119-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS SIGMAR1 2031/4885BCHE 1190/4885ATM 2413/4885
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 SIGMAR1 1613/4885BCHE 586/4885ATM 390/4885
US-20240199584-A1 KRAS INHIBITORS KRAS, NRAS, HRAS SIGMAR1 4517/4885BCHE 4645/4885ATM 365/4885
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases PNP, TYMP, NTPCR SIGMAR1 3759/4885BCHE 130/4885ATM 2110/4885

“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.