SCHEMBL4132236

SCHEMBL4132236

COC(=O)c1cc([N+](=O)[O-])cnc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.51
CYP2C19 P33261 1/20 0.46
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5593284 0.84 OPRK1 (0.51) OPRK1CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL30618280 0.83 OPRK1 (0.50) OPRK1CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL8326765 0.83 OPRK1 (0.50) OPRK1CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL31426614 0.83 OPRK1 (0.50) OPRK1CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL1680354 0.83 OPRK1 (0.50) OPRK1CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL2692671 0.83 OPRK1 (0.50) OPRK1CYP2C19MAPTALDH1A1CYP1A2
SCHEMBL31433790 0.82 OPRK1 (0.49) OPRK1CYP2C19MAPTALDH1A1KMT2A
SCHEMBL1818933 0.80 MAPT (0.49) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL28787258 0.80 MAPT (0.50) OPRK1CYP2C19MAPTALDH1A1GAA
SCHEMBL28403320 0.80 OPRK1 (0.47) OPRK1CYP2C19MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
CN-108929263-A Aryl amide Kv2.1 inhibitor and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-12-04 CN disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM OPRK1 4754/4885CYP2C19 2677/4885MAPT 3303/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 OPRK1 4386/4885CYP2C19 3922/4885MAPT 3341/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM OPRK1 4754/4885CYP2C19 2677/4885MAPT 3303/4885

“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.