SCHEMBL5223076

SCHEMBL5223076

Cn1nc(C(F)(F)F)cc1Oc1cc(Oc2cc(C(F)(F)F)nn2C)cc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
TGFBR1 P36897 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL5221402 0.79 KMT2A (0.47) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL5227796 0.78 KMT2A (0.51) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL7077095 0.78 KMT2A (0.46) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL6281244 0.76 ADORA2A (0.50) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL5216317 0.75 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1
SCHEMBL6532552 0.74 ADORA2A (0.52) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL9234287 0.74 ADORA2A (0.42) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL9289417 0.73 ADORA2A (0.41) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL15941810 0.72 ALDH1A1 (0.52) KMT2ATGFBR1ALDH1A1ADORA2AADORA1
SCHEMBL17732 0.71 KDM4E (0.50) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458685-B1 SUBSTITUTED PHENYL DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2007-05-02 EP disclosed
EP-1458685-A2 SUBSTITUTED PHENYL DERIVATIVES Bayer CropScience GmbH (DE) 2004-09-22 EP disclosed
US-6750222-B2 WITHOUT THE COMMON DISADVANTAGES, SUCH AS, FOR EXAMPLE, LONG PERSISTENCY, INSUFFICIENT SELECTIVITY IN IMPORTANT CROPS OF USEFUL PLANTS OR LACK OF ACTIVITY AGAINST HARMFUL PLANTS BAYER CROPSCIENCE GMBH (DE) 2004-06-15 US disclosed
US-20030228982-A1 Substituted phenyl derivatives BAYER CROPSCIENCE AG (DE) 2003-12-11 US disclosed
WO-2003051846-A2 SUBSTITUTED PHENYL DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-06-26 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-20030228982-A1 Substituted phenyl derivatives CYP1B1, DDT, CYP4X1 KMT2A 792/4885TGFBR1 122/4885ALDH1A1 98/4885

“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.