SCHEMBL20185032

SCHEMBL20185032

CC(C)(C)OC(=O)N=C(NCCCCCCCn1ccn(CCCOc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)c1=NC(=O)C(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
HRH2 P25021 8/20 0.34
HRH1 P35367 8/20 0.34
SUCNR1 Q9BXA5 6/20 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
SCHEMBL18296410 1.00 CA12 (0.37) CA12CA1CA2CA9HRH2
SCHEMBL20036325 1.00 CA12 (0.37) CA12CA1CA2CA9HRH2
SCHEMBL18296428 0.98 CA12 (0.39) CA12CA1CA2CA9HRH2
SCHEMBL20207461 0.98 CA12 (0.39) CA12CA1CA2CA9HRH2
SCHEMBL20185004 0.98 CA12 (0.39) CA12CA1CA2CA9HRH2
SCHEMBL20036296 0.98 CA12 (0.39) CA12CA1CA2CA9HRH2
SCHEMBL20202478 0.98 CA12 (0.36) CA12CA1CA2CA9HRH2
SCHEMBL20202394 0.94 CA12 (0.39) CA12CA1CA2CA9HRH2
SCHEMBL20202386 0.93 CA12 (0.40) CA12CA1CA2CA9HRH2
SCHEMBL20207562 0.92 CA12 (0.40) CA12CA1CA2CA9HRH2

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-10111437-B2 Substituted guanidines as fungicides NIPPON SODA CO., LTD. (JP) 2018-10-30 US disclosed
US-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE NIPPON SODA CO., LTD. (JP) 2018-05-31 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-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE GUCY1A2, GUCY1B2, GUCY1A1 CA12 4537/4885CA1 3232/4885CA2 369/4885
US-10111437-B2 Substituted guanidines as fungicides GUCY1A2, GUCY1B2, GUCY1A1 CA12 4677/4885CA1 3910/4885CA2 529/4885

“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.