SCHEMBL17358035

SCHEMBL17358035

Cc1c([N+](=O)[O-])c(=O)n2nccc2n1Cc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 1/20 0.49
▸ CHRNB2 P17787 3/20 0.43
▸ CHRNA4 P43681 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ DPP4 P27487 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ AR P10275 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CASP6 P55212 1/20 0.36

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
SCHEMBL17358010 0.83 DCTPP1 (0.52) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358145 0.82 LMNA (0.42) CHRNB2CHRNA4DPP4GAALMNA
SCHEMBL17359641 0.82 LMNA (0.42) DCTPP1CHRNB2CHRNA4DPP4GAA
SCHEMBL17358040 0.80 DCTPP1 (0.49) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358072 0.80 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358038 0.79 AR (0.46) ALDH1A1DPP4GAASMN1; SMN2LMNA
SCHEMBL17358015 0.78 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17358014 0.77 DCTPP1 (0.48) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17357998 0.76 DCTPP1 (0.47) DCTPP1CHRNB2CHRNA4ALDH1A1GAA
SCHEMBL17351831 0.75 DPP4 (0.49) DCTPP1DPP4GAALMNAL3MBTL1

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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