SCHEMBL6719802

SCHEMBL6719802

O=[N+]([O-])c1cc(-c2ncnc(C(F)(F)F)c2Cl)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
FGFR4 P22455 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 5/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL6726766 0.91 TDP1 (0.40) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL27599008 0.88 ALDH1A1 (0.38) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL6719708 0.85 VCAM1 (0.39) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL6715979 0.81 MEN1 (0.39) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL6718543 0.80 DHFR (0.33) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL6722987 0.78 RECQL (0.32) MEN1KMT2A
SCHEMBL6722979 0.78 RET (0.31) ALDH1A1GAASMN1; SMN2
SCHEMBL6741104 0.77 TDP1 (0.37) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL6716002 0.74 EGFR (0.37) EGFR
SCHEMBL6719719 0.73 ESPL1 (0.35) CYP3A4TDP1ALDH1A1TSHRHPGD

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 3 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
CN-1473155-A Pyrimidine derivatives and herbicides containing the same ס������ũҩ��ʽ���� 2004-02-04 CN 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 CYP3A4 663/4885TDP1 165/4885ALDH1A1 83/4885

“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.