SCHEMBL1349352

SCHEMBL1349352

O=C(c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
VCAM1 P19320 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TTR P02766 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL28085778 0.87 MAPK1 (0.51) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL633629 0.83 TDP1 (0.46) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL4688384 0.82 TDP1 (0.50) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL29154301 0.81 TDP1 (0.45) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL28865817 0.81 MAPK1 (0.49) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL8555024 0.81 MAPK1 (0.51) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL28085781 0.79 MAPK1 (0.50) MAPK1VCAM1MEN1KMT2ALMNA
SCHEMBL30739792 0.79 KMT2A (0.57) MEN1KMT2ALMNAMAPTHTT
SCHEMBL28295511 0.78 MAPK1 (0.49) MAPK1VCAM1MEN1KMT2ALMNA
Acetic Acid SCHEMBL27660224 0.78 TDP1 (0.50) MAPK1VCAM1MEN1KMT2ALMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396337-B1 PREPARATION AND USE OF ZINC-AMIDES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2016-07-13 EP claimed
EP-2396337-A1 PRODUCTION AND USE OF ZINC AMIDES Ludwig-Maximilians-Universität München (DE) 2011-12-21 EP claimed
US-20110288296-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-11-24 US claimed
WO-2010092096-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2010-08-19 WO claimed
CN-107801378-A PlX-8394 or P L X-7904 for the treatment of BRAF-V600 related diseases 普莱希科公司 2018-03-13 CN disclosed
US-9688701-B2 Production and use of zinc amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2017-06-27 US disclosed
US-9688701-B2 Production and use of zinc amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2017-06-27 US disclosed
US-9688701-B2 Production and use of zinc amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2017-06-27 US disclosed
CN-103517710-B For the compound of kinases regulation 普莱希科公司 2017-05-31 CN disclosed
US-20160215000-A1 Production And Use Of Zinc Amides UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2016-07-28 US disclosed
US-20160215000-A1 Production And Use Of Zinc Amides UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2016-07-28 US disclosed
US-20160215000-A1 Production And Use Of Zinc Amides UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2016-07-28 US disclosed
US-9334237-B2 Production and use of zinc amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2016-05-10 US disclosed
US-9334237-B2 Production and use of zinc amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2016-05-10 US disclosed
EP-2396337-A1 PRODUCTION AND USE OF ZINC AMIDES Ludwig-Maximilians-Universität München (DE) 2011-12-21 EP disclosed
US-20110288296-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-11-24 US disclosed
US-20110288296-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-11-24 US disclosed
US-20110288296-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-11-24 US disclosed
WO-2010092096-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2010-08-19 WO disclosed
WO-2010092096-A1 PRODUCTION AND USE OF ZINC AMIDES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2010-08-19 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-20160215000-A1 Production And Use Of Zinc Amides SCLY, CBR3, SCO2 MAPK1 3635/4885VCAM1 4340/4885MEN1 3970/4885
US-20110288296-A1 PRODUCTION AND USE OF ZINC AMIDES GLRX3, SCLY, SFXN1 MAPK1 3739/4885VCAM1 4086/4885MEN1 4306/4885

“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.