SCHEMBL14551995

SCHEMBL14551995

Cn1nnc2c1-c1ccccc1-c1c(nnn1C)-c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.47
KEAP1 Q14145 1/20 0.47
TOP2A P11388 1/20 0.44
TDO2 P48775 9/20 0.38
IDO1 P14902 8/20 0.38
HIF1A Q16665 1/20 0.36
MAPK13 O15264 1/20 0.36
EIF2AK2 P19525 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HSD11B1 P28845 1/20 0.35
DHODH Q02127 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14551997 1.00 SLC9A1 (0.47) SLC9A1KEAP1TOP2ATDO2IDO1
SCHEMBL23422787 0.83 TOP2A (0.54) TOP2ATDO2IDO1HIF1ADHODH
SCHEMBL23422779 0.83 TOP2A (0.54) TOP2ATDO2IDO1HIF1AMAPK13
SCHEMBL17483475 0.81 DRD4 (0.45) SLC9A1KEAP1TOP2A
SCHEMBL14551996 0.81 SLC9A1 (0.39) SLC9A1KEAP1TOP2ATDO2IDO1
SCHEMBL18272794 0.80 TTR (0.49) TOP2ATDO2IDO1HPGD
SCHEMBL22681796 0.80 SLC9A1 (0.35) SLC9A1KEAP1TOP2ATDO2IDO1
SCHEMBL18272795 0.80 TTR (0.49) TOP2ATDO2IDO1HPGD
SCHEMBL22681401 0.79 ACVR1 (0.46) TOP2AIDO1HTTSMN1; SMN2
SCHEMBL18122147 0.79 TOP2A (0.50) SLC9A1KEAP1TOP2ATDO2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422294-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2016-08-23 US disclosed
US-9422294-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2016-08-23 US disclosed
US-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORP (JP) 2014-12-11 US disclosed
US-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORP (JP) 2014-12-11 US disclosed
US-8901312-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2014-12-02 US disclosed
US-8901312-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2014-12-02 US disclosed
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORPORATION (JP) 2013-01-10 US disclosed
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORPORATION (JP) 2013-01-10 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-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC SLC9A1 4858/4885KEAP1 2279/4885TOP2A 677/4885
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC SLC9A1 4858/4885KEAP1 2279/4885TOP2A 677/4885

“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.