SCHEMBL2821739

SCHEMBL2821739

Cc1nc2ccc(F)c(F)c2c(OC(=O)CS)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MMP13 P45452 3/20 0.34
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP3 P42574 1/20 0.30

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
SCHEMBL2821593 0.86 MMP13 (0.33) TSHRMMP13TNKSPARP1TNKS2
SCHEMBL2826428 0.85 MMP13 (0.33) TSHRMMP13TNKSPARP1TNKS2
SCHEMBL2820985 0.84 MMP13 (0.34) TSHRMMP13TNKSPARP1TNKS2
SCHEMBL2818831 0.82 MMP13 (0.32) MMP13
SCHEMBL2820325 0.82 TSHR (0.40) TSHRMMP13TNKSPARP1TNKS2
SCHEMBL2820048 0.82 MMP13 (0.37) TSHRMMP13TNKSPARP1TNKS2
SCHEMBL2822898 0.80 MMP13 (0.31) MMP13
SCHEMBL2823045 0.79 KMT2A (0.33) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2821657 0.78 KDM4E (0.38) TSHRMMP13KDM4EALDH1A1POLB
SCHEMBL2823027 0.78 MMP13 (0.32) TSHRMMP13

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 TSHR 502/4885MMP13 3596/4885TNKS 4821/4885
US-20040077602-A1 Mixture composition for controlling ectoparasites SF3A3, PEX3, HCN3 TSHR 121/4885MMP13 2183/4885TNKS 4868/4885

“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.