SCHEMBL1457337

SCHEMBL1457337

Nc1ccc(Oc2ncnc(Oc3ccccc3Cl)c2F)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAP4K4 O95819 1/20 0.40
TRPA1 O75762 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
GPR119 Q8TDV5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
HTR1A P08908 2/20 0.34

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
SCHEMBL12825466 0.80 KMT2A (0.49) KMT2AMEN1MAP4K4TRPA1MAPT
SCHEMBL30374325 0.78 KMT2A (0.50) KMT2AMEN1MAP4K4TRPA1SMN1; SMN2
SCHEMBL1456975 0.78 KMT2A (0.50) KMT2AMEN1MAP4K4TRPA1SMN1; SMN2
SCHEMBL5196093 0.78 KMT2A (0.50) KMT2AMEN1MAP4K4TRPA1SMN1; SMN2
SCHEMBL16378820 0.77 KMT2A (0.56) KMT2AMEN1MAP4K4TRPA1ALDH1A1
SCHEMBL22057360 0.76 KMT2A (0.48) KMT2AMEN1MAP4K4TRPA1MAPT
SCHEMBL5083809 0.73 KMT2A (0.43) KMT2AMEN1MAP4K4TRPA1ALDH1A1
SCHEMBL5407175 0.72 KMT2A (0.42) KMT2AMEN1MAP4K4SMN1; SMN2ALDH1A1
SCHEMBL6599337 0.69 CXCL8 (0.45) KMT2AMEN1MAPTHTTSLC6A2
SCHEMBL3488162 0.69 MRGPRX1 (0.44) KMT2AMEN1TRPA1CYP1A2CYP2C19

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 7 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-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-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

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 2410/4885MAP4K4 1237/4885

“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.