SCHEMBL10291339

SCHEMBL10291339

CCc1nc2ccc(F)cc2n1-c1cccc(CNc2ccc3c(c2)OCC3C(=O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 3/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
FFAR1 O14842 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE2A O00408 2/20 0.32
NTRK1 P04629 2/20 0.32
NTRK2 Q16620 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
CYP11B2 P19099 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL10291340 0.93 MAPT (0.34) BMI1MAPTTP53HDAC6PDE2A
SCHEMBL10291806 0.91 MAPT (0.34) MAPTPDE2ANTRK1NTRK2APP
SCHEMBL1707877 0.90 FFAR1 (0.42) FFAR1
SCHEMBL1707879 0.87 MAPT (0.34) BMI1MAPTTP53HDAC6PDE2A
SCHEMBL1708028 0.87 FFAR1 (0.37) BMI1MAPTTP53FFAR1
SCHEMBL1708122 0.87 MAPT (0.33) BMI1MAPTTP53HDAC6PDE2A
SCHEMBL1708121 0.87 FFAR1 (0.35) BMI1MAPTTP53FFAR1HDAC6
SCHEMBL10291534 0.85 GFER (0.37) MAPTTP53FFAR1
SCHEMBL10291804 0.84 MAPT (0.33) MAPTFFAR1PDE2ANTRK1NTRK2
SCHEMBL1708710 0.82 BMI1 (0.33) BMI1MAPTTP53FFAR1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 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 (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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R BMI1 2098/4885MAPT 4721/4885TP53 3018/4885

“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.