SCHEMBL16296402

SCHEMBL16296402

O=C(O)n1nnn(-c2cccc(F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
ADORA3 P0DMS8 2/20 0.46
MAPK14 Q16539 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
NOTUM Q6P988 2/20 0.42
KEAP1 Q14145 1/20 0.41
KMT2A Q03164 3/20 0.40
HSD11B1 P28845 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
POLB P06746 1/20 0.39
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL16303975 0.88 IDO1 (0.46) IDO1TDO2ADORA3MAPK14FAAH
SCHEMBL19143068 0.84 IDO1 (0.43) IDO1TDO2ADORA3MAPK14FAAH
SCHEMBL16297233 0.83 ALDH1A1 (0.50) IDO1TDO2MGLLNOTUMKMT2A
SCHEMBL16297250 0.79 MAPT (0.40) IDO1TDO2ADORA3FAAHMGLL
SCHEMBL17601874 0.79 PIK3CD (0.45) IDO1TDO2KMT2ANPC1MAPT
SCHEMBL16296392 0.79 NOTUM (0.46) NOTUM
SCHEMBL16297174 0.78 GABRD (0.40) IDO1TDO2NOTUMKMT2AHSD11B1
SCHEMBL16303962 0.78 HPGDS (0.39) IDO1TDO2ADORA3MAPK14FAAH
SCHEMBL18503912 0.78 IDO1 (0.50) IDO1TDO2ADORA3MAPK14FAAH
SCHEMBL16297158 0.77 IDO1 (0.41) IDO1TDO2KMT2AHSD11B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283452-B Tetrazolone derivatives 豪夫迈·罗氏有限公司 2019-01-04 CN claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO claimed
CN-105283452-B Tetrazolone derivatives 豪夫迈·罗氏有限公司 2019-01-04 CN disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 IDO1 1212/4885TDO2 212/4885ADORA3 1217/4885

“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.