SCHEMBL17358040

SCHEMBL17358040

Cc1c([N+](=O)[O-])c(=O)n2nc(S(C)(=O)=O)cc2n1Cc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 8/20 0.49
▸ CHRNB2 P17787 3/20 0.37
▸ CHRNA4 P43681 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ AR P10275 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17359653 0.86 LMNA (0.41) DCTPP1LMNAALDH1A1TLR7AR
SCHEMBL17357998 0.81 DCTPP1 (0.47) DCTPP1CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL17358035 0.80 DCTPP1 (0.49) DCTPP1CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL17358001 0.79 LMNA (0.44) DCTPP1LMNAALDH1A1GAATLR7
SCHEMBL17358068 0.77 PTGS1 (0.41) DCTPP1LMNAALDH1A1SMN1; SMN2TLR7
SCHEMBL17358010 0.76 DCTPP1 (0.52) DCTPP1CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL17358072 0.75 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL17358015 0.75 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL17358014 0.74 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL17358034 0.72 LMNA (0.43) CHRNB2CHRNA4LMNAGAAMEN1

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-9963451-B2 Fused ring pyrimidine compound and pest control agent containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-08 — — US disclosed
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2015-12-24 — — 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-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME CBR3, HRH2, HRH4 DCTPP1 2706/4885CHRNB2 2702/4885CHRNA4 2137/4885

“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.

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