Sugi Predict

Sugi Predict / Compounds / SCHEMBL4747739

SCHEMBL4747739

SCHEMBL4747739

Cc1ccc2c(=O)c(C(=O)O)cn(C3CC3)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.49
▸ TOP2A P11388 8/20 0.49
▸ TOP2B Q02880 8/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GSK3B P49841 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL10330771 0.88 TOP2A (0.60) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL2081014 0.87 TOP2A (0.56) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL10627007 0.87 KCNH2 (0.48) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL4747712 0.85 KCNH2 (0.61) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL4208120 0.84 TOP2A (0.53) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL4747728 0.83 CYP3A4 (0.52) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL5732660 0.81 TOP2A (0.60) KCNH2TOP2ATOP2BKDM4EMEN1
SCHEMBL4747727 0.81 KCNH2 (0.52) KCNH2TOP2ATOP2BKDM4EGSK3B
SCHEMBL5732781 0.80 TOP2A (0.62) KCNH2TOP2ATOP2BKDM4E
SCHEMBL5735039 0.80 TOP2A (0.51) KCNH2TOP2ATOP2BKDM4EGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KCNH2 193/4885TOP2A 89/4885TOP2B 149/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KCNH2 193/4885TOP2A 89/4885TOP2B 149/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KCNH2 193/4885TOP2A 89/4885TOP2B 149/4885

“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.