SCHEMBL892267

SCHEMBL892267

O=[N+]([O-])c1[nH]cnc1/C=C/c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
MAPT P10636 5/20 0.55
POLB P06746 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GRM4 Q14833 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL892269 1.00 TAAR1 (0.62) TAAR1MAPTPOLBTDP1GAA
SCHEMBL11453608 0.77 TAAR1 (1.00) TAAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL11453607 0.77 TAAR1 (1.00) TAAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL892527 0.75 GRM4 (0.48) MAPTPOLBTDP1SMN1; SMN2RAB9A
SCHEMBL892525 0.75 GRM4 (0.48) MAPTPOLBTDP1SMN1; SMN2RAB9A
SCHEMBL22686237 0.73 TAAR1 (0.58) TAAR1MAPTPOLBTDP1KMT2A
SCHEMBL891798 0.69 TAAR1 (0.68) TAAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL891800 0.69 TAAR1 (0.68) TAAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL9000640 0.68 GRM4 (0.51) MAPTTDP1SMN1; SMN2RAB9AKMT2A
SCHEMBL9000635 0.68 GRM4 (0.51) MAPTTDP1SMN1; SMN2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445915-B1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LTD (GB) 2016-04-20 EP disclosed
EP-2445915-B1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LTD (GB) 2016-04-20 EP disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
CN-102803264-A 3-substituted-8-substituted-3h imidazo[5,1-d][1,2,3,5-tetrazin-4-one compounds and their use PHARMINOX LTD 2012-11-28 CN disclosed
EP-2445915-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE Pharminox Limited (GB) 2012-05-02 EP disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 WO disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI TAAR1 1922/4885MAPT 3259/4885POLB 1372/4885

“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.