SCHEMBL1853390

SCHEMBL1853390

OC(c1cccc(C(F)(F)F)c1)c1cc2cccc(Br)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
CES2 O00748 1/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
ACP3 P15309 2/20 0.37
ADAM17 P78536 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCD O00767 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
RORB Q92753 1/20 0.35
GRIN2B Q13224 2/20 0.34
IGF1R P08069 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL1855851 0.85 DAO (0.41) PNMTCES2IDO1TDO2ACP3
SCHEMBL1852738 0.84 PNMT (0.40) PNMTCES2IDO1TDO2ACP3
SCHEMBL1852737 0.80 HTR2A (0.45) PNMTIDO1ACP3SLC6A2SLC6A4
SCHEMBL1852537 0.80 GPR52 (0.45) CES2ALDH1A1SCDMEN1MAPT
SCHEMBL3198656 0.76 GPR52 (0.49) CES2ALDH1A1SCDHDAC1HDAC6
SCHEMBL3219110 0.75 GPR52 (0.51) PNMTCES2SCD
SCHEMBL4135956 0.73 PNMT (0.65) PNMTCES2IDO1TDO2ACP3
SCHEMBL1850455 0.72 GPR52 (0.49) CES2ALDH1A1SCDHDAC1HDAC6
SCHEMBL3204669 0.71 GPR52 (0.49) CES2ALDH1A1SCDMEN1MAPT
SCHEMBL1849577 0.71 GPR52 (0.51) IDO1

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 PNMT 2366/4885CES2 1626/4885IDO1 2631/4885

“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.