SCHEMBL2820985

SCHEMBL2820985

CC(=O)Oc1c(C)c(C)nc2ccc(F)c(F)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR5A P47898 1/20 0.32
F2 P00734 1/20 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
SCHEMBL2820048 0.86 MMP13 (0.37) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2820325 0.84 TSHR (0.40) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2823051 0.84 MMP13 (0.34) MMP13TNKSPARP1TNKS2CYP4F2
SCHEMBL2821739 0.84 TSHR (0.34) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2823045 0.83 KMT2A (0.33) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2820199 0.82 MMP13 (0.31) MMP13TNKSPARP1TNKS2
SCHEMBL2819785 0.82 MMP13 (0.31) MMP13TNKSPARP1TNKS2
SCHEMBL2826428 0.82 MMP13 (0.33) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2823027 0.80 MMP13 (0.32) MMP13TSHR
SCHEMBL2821657 0.80 KDM4E (0.38) MMP13KDM4ETSHRALDH1A1HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP claimed
US-7022855-B2 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US claimed
EP-1559321-A1 MIXED COMPOSITIONS FOR CONTROLLING PARASITIC INSECTS MEIJI SEIKA KAISHA LTD. (JP) 2005-08-03 EP claimed
US-20040087618-A1 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2004-05-06 US claimed
US-20040077602-A1 Mixture composition for controlling ectoparasites MEIJI SEIKA KAISHA, LTD. (JP) 2004-04-22 US claimed
EP-1386914-A1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA LTD. (JP) 2004-02-04 EP claimed
EP-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed
US-7022855-B2 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed
EP-1559321-A1 MIXED COMPOSITIONS FOR CONTROLLING PARASITIC INSECTS MEIJI SEIKA KAISHA LTD. (JP) 2005-08-03 EP disclosed
US-20040087618-A1 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2004-05-06 US disclosed
US-20040077602-A1 Mixture composition for controlling ectoparasites MEIJI SEIKA KAISHA, LTD. (JP) 2004-04-22 US disclosed
EP-1386914-A1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA LTD. (JP) 2004-02-04 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 (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-20040087618-A1 Halogen-substituted quinoline derivatives and ectoparasite control agent ATL3, RABL3, RAB5C MMP13 3596/4885TNKS 4821/4885PARP1 4019/4885
US-20040077602-A1 Mixture composition for controlling ectoparasites SF3A3, PEX3, HCN3 MMP13 2183/4885TNKS 4868/4885PARP1 4813/4885

“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.