SCHEMBL3221864

SCHEMBL3221864

O=C(O)c1cccc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.75
PTGER4 P35408 2/20 0.50
KDM4C Q9H3R0 1/20 0.50
NR4A2 P43354 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
SRD5A2 P31213 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL1849610 0.91 GPR52 (0.93) GPR52PTGER4KDM4CMRGPRX4
SCHEMBL1853421 0.89 GPR52 (0.64) GPR52PTGER4KDM4CNR4A2NPC1
SCHEMBL1851194 0.88 GPR52 (0.70) GPR52PTGER4MEN1KMT2ASMN1; SMN2
SCHEMBL1856279 0.88 GPR52 (0.77) GPR52PTGER4KDM4C
SCHEMBL1850459 0.87 KDM4C (0.62) GPR52PTGER4KDM4CNR4A2MRGPRX4
SCHEMBL3211059 0.87 GPR52 (0.57) GPR52NPC1RAB9AKMT2APOLB
SCHEMBL1849911 0.87 GPR52 (0.58) GPR52PTGER4KDM4CNR4A2NPC1
SCHEMBL1854239 0.86 GPR52 (0.63) GPR52PTGER4KDM4CMRGPRX4
SCHEMBL3207056 0.86 GPR52 (1.00) GPR52PTGER4MRGPRX4POLB
SCHEMBL1850808 0.85 GPR52 (0.55) GPR52PTGER4KDM4CNR4A2NPC1

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-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.