SCHEMBL6719638

SCHEMBL6719638

COc1ncnc(-c2cc([N+](=O)[O-])c(F)cc2F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 8/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
ESPL1 Q14674 1/20 0.31
PTGES O14684 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KCNH2 Q12809 2/20 0.30

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
SCHEMBL6726797 0.91 GRIA1 (0.37) SQORMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6720026 0.83 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1ESPL1PTGES
SCHEMBL6719848 0.82 PIN1 (0.34) MAPTSMN1; SMN2ALDH1A1ESPL1PTGES
SCHEMBL6727030 0.81 CHEK1 (0.38) MAPTALDH1A1LMNAMAPK8MAPK9
SCHEMBL6719700 0.80 GRIA1 (0.37) MAPTSMN1; SMN2CYP1A2
SCHEMBL6715981 0.79 VCAM1 (0.38) MAPTCYP1A2
SCHEMBL6715825 0.75 ADORA1 (0.44) SQORKDM4EMEN1CYP1A2CYP3A4
SCHEMBL6715943 0.75 HSP90AB1 (0.40) SQORMAPTKMT2A
SCHEMBL6719687 0.75 KIT (0.34) SQORMAPK8MAPK9PRKDC
SCHEMBL6719719 0.70 ESPL1 (0.35) SMN1; SMN2ALDH1A1ESPL1PTGESMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
EP-1333029-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD SQOR 488/4885MAPT 4526/4885SMN1; SMN2 4090/4885

“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.