SCHEMBL7061209

SCHEMBL7061209

CCOC(=O)c1ccc2cccc([N+](=O)[O-])c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
PKM P14618 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.51
PTGER4 P35408 1/20 0.51
MAPK1 P28482 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CDC25B P30305 1/20 0.48

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
SCHEMBL10392289 0.90 KMT2A (0.58) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL11051219 0.79 CA12 (0.59) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL351553 0.79 CASP6 (0.57) KMT2AALDH1A1POLBMAPTLMNA
SCHEMBL15715983 0.79 GABRA1 (0.49) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL10391503 0.78 CDC25B (0.56) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL11052006 0.78 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL15788487 0.78 CDC25B (0.52) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL23909538 0.77 ALDH1A1 (0.54) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL7061043 0.77 ALDH1A1 (0.54) KMT2AALDH1A1KDM4EPOLBMAPT
SCHEMBL3559893 0.77 TSHR (0.64) KMT2AALDH1A1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795146-B Isoxazole derivatives as inhibitors of mutant isocitrate dehydrogenase 1 第一三共株式会社 2020-06-26 CN disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
US-9546156-B2 N-bicyclic aryl,N'-pyrazolyl urea, thiourea, guanidine cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-01-17 US disclosed
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
WO-2014078328-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN disclosed
US-4966975-A Processes for the preparation of novel naphthalenylmethyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCT 1990-10-30 US disclosed
EP-0393941-A1 Naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4897405-A Novel naphthalenylalkyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-30 US disclosed
US-4490370-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-12-25 US disclosed
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 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 (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-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR IDH1, IDH3A, IDH3B KMT2A 202/4885ALDH1A1 307/4885KDM4E 188/4885
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 KMT2A 3246/4885ALDH1A1 299/4885KDM4E 2015/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B KMT2A 202/4885ALDH1A1 307/4885KDM4E 188/4885
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, TNNI3K, CHUK KMT2A 4134/4885ALDH1A1 2869/4885KDM4E 2511/4885

“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.