SCHEMBL17233263

SCHEMBL17233263

CN1N=C(c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)NN1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.62
LARS1 Q9P2J5 1/20 0.35
HRH3 Q9Y5N1 6/20 0.33
SIGMAR1 Q99720 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
SCHEMBL18609301 0.92 KCNH2 (0.59) KCNH2LARS1HRH3
SCHEMBL17233252 0.92 KCNH2 (0.61) KCNH2LARS1HRH3
SCHEMBL20215529 0.86 KCNH2 (0.68) KCNH2LARS1HRH3
SCHEMBL18609161 0.84 KCNH2 (0.71) KCNH2LARS1HRH3
SCHEMBL17233236 0.84 KCNH2 (0.66) KCNH2LARS1HRH3
SCHEMBL17233327 0.81 KCNH2 (0.62) KCNH2LARS1
SCHEMBL17233333 0.81 KCNH2 (0.67) KCNH2HRH3
SCHEMBL17233015 0.81 KCNH2 (0.75) KCNH2LARS1
SCHEMBL17232987 0.80 KCNH2 (0.63) KCNH2
SCHEMBL17232990 0.80 KCNH2 (0.63) KCNH2LARS1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
WO-2015165340-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE 南京明德新药研发股份有限公司 2015-11-05 WO 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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 KCNH2 1128/4885LARS1 3079/4885HRH3 1155/4885

“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.