SCHEMBL17357998

SCHEMBL17357998

Cc1c([N+](=O)[O-])c(=O)n2nc(S(C)(=O)=O)nc2n1Cc1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 3/20 0.47
▸ CHRNB2 P17787 3/20 0.37
▸ CHRNA4 P43681 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AR P10275 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL17357819 0.86 TLR7 (0.39) DCTPP1GAATLR7MAPTLMNA
SCHEMBL17358015 0.85 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358014 0.84 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358040 0.81 DCTPP1 (0.49) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17357822 0.80 TLR7 (0.37) DCTPP1ALDH1A1TLR7CYP2C9CYP2C19
SCHEMBL17358010 0.80 DCTPP1 (0.52) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358072 0.79 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17351784 0.78 LMNA (0.44) DCTPP1TLR7LMNAARPTGDR2
SCHEMBL17357880 0.76 LMNA (0.42) CHRNB2CHRNA4GAATLR7MAPT
SCHEMBL17358035 0.76 DCTPP1 (0.49) DCTPP1CHRNB2CHRNA4ALDH1A1GAA

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.

Send feedback