SCHEMBL1963901

SCHEMBL1963901

CSCn1c(=O)c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.66
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL1963617 0.81 CFTR (0.68) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL9103612 0.80 MAPK1 (0.62) KDM4EALDH1A1HPGDMAPK1LMNA
SCHEMBL19032859 0.79 CFTR (1.00) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL29497996 0.79 CFTR (1.00) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL981153 0.79 CFTR (0.64) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL981951 0.77 CFTR (0.62) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL982163 0.77 CFTR (0.66) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL981829 0.77 CFTR (0.66) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL31448338 0.77 CFTR (0.62) CFTRKDM4EALDH1A1HPGDGAA
SCHEMBL1967980 0.77 CFTR (0.69) CFTRKDM4EALDH1A1HPGDGAA

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-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 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 (2 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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 CFTR 1612/4885KDM4E 2003/4885ALDH1A1 1058/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 CFTR 1881/4885KDM4E 2076/4885ALDH1A1 1311/4885

“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.