SCHEMBL14551985

SCHEMBL14551985

Brc1cccc(Br)c1-n1nnc2c1-c1ccccc1-c1nnn(-c3c(Br)cccc3Br)c1-c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 14/20 0.38
IDO1 P14902 13/20 0.38
DHODH Q02127 4/20 0.35
KCNN4 O15554 1/20 0.33
CYP1A2 P05177 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
SCHEMBL14551984 1.00 TDO2 (0.38) TDO2IDO1DHODHKCNN4CYP1A2
SCHEMBL12324845 0.91 IDO1 (0.33) TDO2IDO1DHODH
SCHEMBL12324826 0.79 IDO1 (0.41) TDO2IDO1DHODH
SCHEMBL14551980 0.79 IDO1 (0.41) TDO2IDO1DHODH
SCHEMBL12324843 0.77 IDO1 (0.32) TDO2IDO1
SCHEMBL14551972 0.76 DHODH (0.43) TDO2IDO1DHODH
SCHEMBL12324828 0.76 IDO1 (0.42) TDO2IDO1DHODHKCNN4
SCHEMBL14551981 0.76 IDO1 (0.42) TDO2IDO1DHODHKCNN4
SCHEMBL14551973 0.76 DHODH (0.43) TDO2IDO1DHODH
SCHEMBL16283155 0.74 IDO1 (0.64) TDO2IDO1DHODH

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