SCHEMBL1850158

SCHEMBL1850158

O=C(O)c1cccc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.56
PTGER4 P35408 2/20 0.45
KDM4C Q9H3R0 1/20 0.43
P2RY14 Q15391 1/20 0.42
CTSA P10619 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PTGER1 P34995 1/20 0.39
ALDH1A2 O94788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
FABP4 P15090 1/20 0.38
S1PR1 P21453 1/20 0.37
GRK5 P34947 1/20 0.37
CDK8 P49336 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL3196264 0.87 GPR52 (0.73) GPR52PTGER4CTSALMNA
SCHEMBL3216166 0.84 GPR52 (0.61) GPR52PTGER4CTSALMNATP53
SCHEMBL1854239 0.83 GPR52 (0.63) GPR52PTGER4KDM4CP2RY14PTGER1
SCHEMBL7956119 0.83 GPR52 (0.62) GPR52PTGER4CTSALMNATP53
SCHEMBL1850459 0.83 KDM4C (0.62) GPR52PTGER4KDM4CPOLB
SCHEMBL3221864 0.81 GPR52 (0.75) GPR52PTGER4KDM4CPOLB
SCHEMBL13505964 0.81 GPR52 (0.53) GPR52PTGER4KDM4CP2RY14LMNA
SCHEMBL13506153 0.81 SMN1; SMN2 (0.54) GPR52PTGER4KDM4CP2RY14MAPT
SCHEMBL1853421 0.79 GPR52 (0.64) GPR52PTGER4KDM4CP2RY14LMNA
SCHEMBL1850188 0.78 GPR52 (0.59) GPR52PTGER4KDM4CP2RY14PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885PTGER4 888/4885KDM4C 2640/4885

“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.