SCHEMBL5221402

SCHEMBL5221402

Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
TGFBR1 P36897 4/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
EPAS1 Q99814 6/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 1/20 0.35
CYP11B2 P19099 1/20 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
SCHEMBL7077095 0.99 KMT2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5216317 0.95 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1EPAS1
SCHEMBL5219243 0.87 KMT2A (0.38) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL8475741 0.86 ADORA2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5227796 0.81 KMT2A (0.51) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL7252609 0.80 KMT2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5223076 0.79 KMT2A (0.44) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL6281244 0.79 ADORA2A (0.50) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL8932322 0.79 KMT2A (0.44) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL7245294 0.79 SCN9A (0.40) KMT2AADORA2AADORA1SCN9A

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 122/4885ADORA2A 1536/4885

“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.