SCHEMBL14551981

SCHEMBL14551981

CCc1cccc(CC)c1-n1nnc2c1-c1ccccc1-c1c(nnn1-c1c(CC)cccc1CC)-c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.42
TDO2 P48775 13/20 0.42
DHODH Q02127 3/20 0.40
TP53 P04637 1/20 0.39
KCNN4 O15554 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ANPEP P15144 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL12324828 1.00 IDO1 (0.42) IDO1TDO2DHODHTP53KCNN4
SCHEMBL14551980 0.79 IDO1 (0.41) IDO1TDO2DHODHTP53HPGD
SCHEMBL12324826 0.79 IDO1 (0.41) IDO1TDO2DHODHTP53HPGD
SCHEMBL14551985 0.76 TDO2 (0.38) IDO1TDO2DHODHKCNN4
SCHEMBL14551984 0.76 TDO2 (0.38) IDO1TDO2DHODHKCNN4
SCHEMBL14551972 0.75 DHODH (0.43) IDO1TDO2DHODHANPEPDPP4
SCHEMBL14551973 0.75 DHODH (0.43) IDO1TDO2DHODHANPEPDPP4
SCHEMBL16283156 0.73 TP53 (0.45) IDO1TDO2TP53KCNN4MAPK1
SCHEMBL14551982 0.72 GABRA1 (0.37) IDO1TDO2TP53
SCHEMBL14551983 0.72 GABRA1 (0.37) IDO1TDO2TP53

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 IDO1 2209/4885TDO2 2653/4885DHODH 956/4885
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC IDO1 2209/4885TDO2 2653/4885DHODH 956/4885

“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.