SCHEMBL1852570

SCHEMBL1852570

OC(c1cccc(C(F)(F)F)c1)c1cn2c(Br)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CES2 O00748 1/20 0.39
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACP3 P15309 1/20 0.36
KCNN4 O15554 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35
ADAM17 P78536 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNA5 P22460 1/20 0.33
IGF1R P08069 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL1855854 0.79 GPR52 (0.45) GPR52
SCHEMBL3213161 0.72 MEN1 (0.42) ALDH1A1KDM4E
SCHEMBL4135956 0.72 PNMT (0.65) PNMTIDO1TDO2CES2ALDH1A1
SCHEMBL3217537 0.71 GPR52 (0.49) ALDH1A1GPR52
SCHEMBL543166 0.68 HSD17B10 (0.36) ALDH1A1KDM4EHSD17B10
SCHEMBL31355542 0.68 PNMT (0.46) PNMTIDO1TDO2CES2ALDH1A1
SCHEMBL4135655 0.67 PNMT (0.59) PNMTIDO1TDO2CES2ALDH1A1
SCHEMBL9281523 0.67 PNMT (0.45) PNMTIDO1TDO2CES2ALDH1A1
SCHEMBL2498815 0.66 PNMT (0.61) PNMTIDO1TDO2CES2ACP3
SCHEMBL11665754 0.65 PNMT (0.49) PNMTIDO1TDO2CES2ALDH1A1

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 2366/4885IDO1 2631/4885TDO2 1270/4885

“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.