SCHEMBL858908

SCHEMBL858908

CNc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.46
HTT P42858 2/20 0.44
CDC25B P30305 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 5/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37

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
SCHEMBL859047 0.90 MAPT (0.40) HCAR3HTTCDC25BKMT2AMEN1
SCHEMBL2700555 0.83 TSHR (0.42) KMT2AMEN1MAPK1ALDH1A1NPC1
SCHEMBL77037 0.82 TSHR (0.44) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL17744625 0.81 ALDH1A1 (0.41) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL18580627 0.81 ALDH1A1 (0.40) HTTKMT2AMAPK1ALDH1A1MAPT
SCHEMBL2698628 0.74 PTPRC (0.45) HTTKMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL2310364 0.73 ALDH1A1 (0.34) KMT2AMEN1MAPK1ALDH1A1MAPT
SCHEMBL15367019 0.72 PDK1 (0.31) PDK1PDK2PDK3PDK4
SCHEMBL3519257 0.70 TRPV1 (0.32) ALDH1A1RECQL
SCHEMBL16637414 0.70 MAPT (0.36) RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684227-A The method comprises the following steps of18Synthesis method of F-fluoromethol labeling precursor 国电投核素同创(重庆)科技有限公司 2025-03-25 CN disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (2 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HCAR3 518/4885HTT 2079/4885CDC25B 1388/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HCAR3 382/4885HTT 2454/4885CDC25B 1208/4885

“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.