SCHEMBL1457413

SCHEMBL1457413

O=C(Nc1ccc(Oc2ncnc(Oc3ccccc3)c2F)cc1)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 1/20 0.51
P2RX1 P51575 1/20 0.49
PNLIP P16233 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45

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
SCHEMBL1457567 0.87 KMT2A (0.58) KMT2AMEN1MAPK1TUBB4ATUBB
SCHEMBL14878877 0.81 ALDH1A1 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1CRHBP
SCHEMBL1457434 0.80 KMT2A (0.50) KMT2AMEN1MAPK1PNLIPGAA
SCHEMBL1692055 0.78 P2RX1 (0.66) KMT2AMEN1P2RX1GAASMN1; SMN2
SCHEMBL7077682 0.78 PNLIP (0.62) KMT2AMEN1MAPK1P2RX1PNLIP
SCHEMBL7160767 0.77 P2RX1 (0.65) KMT2AMEN1MAPK1P2RX1GAA
SCHEMBL7159826 0.76 MEN1 (0.60) KMT2AMEN1P2RX1PNLIPGAA
SCHEMBL7161441 0.76 P2RX1 (0.60) KMT2AMEN1P2RX1GAASMN1; SMN2
Ethane SCHEMBL27774960 0.76 KMT2A (0.66) KMT2AMEN1P2RX1GAASMN1; SMN2
SCHEMBL7556185 0.76 KMT2A (0.47) KMT2AMEN1PNLIPGAAHTT

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
EP-1533303-B1 Substituted Aminosalicylacid Amides ( intermediates ) BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
EP-2292608-A1 Intermediates for the preparation of substituted Aminosalicylic acid amides with fungicidal activity Bayer CropScience AG (DE) 2011-03-09 EP disclosed
EP-2292608-A1 Intermediates for the preparation of substituted Aminosalicylic acid amides with fungicidal activity Bayer CropScience AG (DE) 2011-03-09 EP disclosed
EP-0970057-B1 SUBSTITUTED AMINOSALICYCLIC ACID AMIDES WITH FUNGICIDAL EFFECT AND INTERMEDIATE PRODUCTS FOR PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2006-02-01 EP disclosed
EP-1533303-A1 Substituted Aminosalicylacid Amides ( intermediates ) Bayer CropScience AG (DE) 2005-05-25 EP disclosed
US-6380386-B2 INSECTICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
US-20020006958-A1 Substituted aminosalicylic acid amides with fungicidal effect and intermediate products for production thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-01-17 US disclosed
US-6194418-B1 Substituted aminosalicyclic acid amides with fungicidal effect and intermediate products for production thereof BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US disclosed
EP-0970057-A2 SUBSTITUTED AMINOSALICYCLIC ACID AMIDES WITH FUNGICIDAL EFFECT AND INTERMEDIATE PRODUCTS FOR PRODUCTION THEREOF BAYER AG (DE) 2000-01-12 EP disclosed
WO-1998041513-A2 SUBSTITUTED AMINOSALICYCLIC ACID AMIDES WITH FUNGICIDAL EFFECT AND INTERMEDIATE PRODUCTS FOR PRODUCTION THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1998-09-24 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 (1 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-20020006958-A1 Substituted aminosalicylic acid amides with fungicidal effect and intermediate products for production thereof AADAC, DDC, DAO KMT2A 1930/4885MEN1 2410/4885MAPK1 2140/4885

“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.