SCHEMBL14726613

SCHEMBL14726613

CCOC(C[N+](=O)[O-])OCC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
CPA1 P15085 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10978124 0.76
SCHEMBL27735169 0.76
SCHEMBL28655739 0.76 ALDH1A1 (0.41) TSHRTHRBALDH1A1ATMLMNA
SCHEMBL11903057 0.74
SCHEMBL2777222 0.71 ALDH1A1 (0.36) TSHRTHRBALDH1A1ATMLMNA
SCHEMBL26023834 0.70 CPA1 (0.38) TSHRATMCPA1
SCHEMBL27297467 0.70
SCHEMBL1147490 0.70 ATM (0.31) TSHRTHRBALDH1A1ATM
SCHEMBL3285903 0.69
SCHEMBL23421107 0.66 ATM (0.32) ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407423-B2 Compounds as inhibitors of DNA methyltransferases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2019-09-10 US disclosed
US-20180362525-A1 NOVEL COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-12-20 US disclosed
EP-3023423-B1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS NOVARTIS AG (CH) 2017-05-31 EP disclosed
EP-3023423-A1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS Novartis AG (CH) 2016-05-25 EP disclosed
CN-105519550-A Herbicide for coniferous nursery garden YANTAI LONGSHUN CHEMICAL TECH CO LTD 2016-04-27 CN disclosed
CN-105519550-A Herbicide for coniferous nursery garden YANTAI LONGSHUN CHEMICAL TECH CO LTD 2016-04-27 CN disclosed
US-9163011-B2 Oxazine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-10-20 US disclosed
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20130172331-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG 2013-07-04 US disclosed
WO-2013027188-A1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS NOVARTIS AG (CH) 2013-02-28 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-20180362525-A1 NOVEL COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES DNMT3B, DNMT3A, DNMT1 TSHR 2941/4885THRB 1056/4885ALDH1A1 323/4885
US-20130172331-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 TSHR 4491/4885THRB 2323/4885ALDH1A1 252/4885
US-10407423-B2 Compounds as inhibitors of DNA methyltransferases DNMT3B, DNMT3A, DNMT1 TSHR 2623/4885THRB 1090/4885ALDH1A1 367/4885
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 TSHR 4491/4885THRB 2323/4885ALDH1A1 252/4885

“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.