SCHEMBL1850459

SCHEMBL1850459

O=C(O)c1ccnc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.62
GPR52 Q9Y2T5 2/20 0.59
PTGER4 P35408 2/20 0.48
NR4A2 P43354 2/20 0.45
KDM4A O75164 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HTT P42858 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3221864 0.87 GPR52 (0.75) KDM4CGPR52PTGER4NR4A2MRGPRX4
SCHEMBL7961131 0.87 GPR52 (0.80) KDM4CGPR52PTGER4MRGPRX4
SCHEMBL3219255 0.84 GPR52 (0.66) KDM4CGPR52PTGER4POLB
SCHEMBL1854239 0.84 GPR52 (0.63) KDM4CGPR52PTGER4MRGPRX4MMP13
SCHEMBL1849426 0.83 GPR52 (0.46) KDM4CGPR52PTGER4NR4A2KDM4A
SCHEMBL1850158 0.83 GPR52 (0.56) KDM4CGPR52PTGER4POLB
SCHEMBL1853421 0.81 GPR52 (0.64) KDM4CGPR52PTGER4NR4A2MMP13
SCHEMBL13505964 0.80 GPR52 (0.53) KDM4CGPR52PTGER4POLB
SCHEMBL1849610 0.79 GPR52 (0.93) KDM4CGPR52PTGER4MRGPRX4
SCHEMBL1850188 0.79 GPR52 (0.59) KDM4CGPR52PTGER4MMP13KDM4E

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 KDM4C 2640/4885GPR52 1/4885PTGER4 888/4885

“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.