SCHEMBL20202345

SCHEMBL20202345

CN=C1N(CCc2ccc(C(=N)N)cc2)CCN1CCc1ccc(C2=NCCCN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.43
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TOP2A P11388 4/20 0.36
TOP2B Q02880 4/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F10 P00742 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KLK5 Q9Y337 1/20 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
SCHEMBL20202346 0.83 NISCH (0.42) NISCHGAATSHRTOP2ATOP2B
SCHEMBL20202344 0.82 ITGB3 (0.47) ITGB3ITGA2BF10
SCHEMBL23902184 0.77 NISCH (0.46) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902266 0.70 NISCH (0.53) NISCHMAOAMAOB
SCHEMBL23901777 0.70 NISCH (0.43) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902159 0.70 NISCH (0.52) NISCHF10
SCHEMBL23901778 0.69 F2 (0.52)
SCHEMBL23901776 0.69 NISCH (0.42) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23901824 0.68 PRSS1 (0.53) NISCH
SCHEMBL4703727 0.68 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE GUCY1A2, GUCY1B2, GUCY1A1 NISCH 1494/4885GAA 217/4885TSHR 2390/4885

“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.