SCHEMBL8601462

SCHEMBL8601462

O=c1[nH]nnn1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 3/20 0.36
TSHR P16473 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
HCAR1 Q9BXC0 2/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL5906267 0.98 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPKMADORA2A
SCHEMBL8843329 0.81 JAK2 (0.38) ALDH1A1MAPT
SCHEMBL8842403 0.78 HTT (0.31)
SCHEMBL8843336 0.77 HCAR1 (0.36) HCAR1
SCHEMBL8551872 0.76 SRC (0.38) HCAR1
SCHEMBL9195502 0.75 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EPKMTSHR
SCHEMBL8842662 0.75 NFE2L2 (0.30)
SCHEMBL8041713 0.74
SCHEMBL8842637 0.74 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL9556936 0.73 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPKMADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113301901-B Tetrazolinone substituted steroids and uses thereof 北京轩义医药科技有限公司 2022-09-09 CN disclosed
US-20220089636-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-03-24 US disclosed
EP-3911331-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF Beijing Xuanyi Pharmasciences Co., Ltd. (CN) 2021-11-24 EP disclosed
CN-113301901-A Tetrazolinone substituted steroids and uses thereof 北京轩义医药科技有限公司 2021-08-24 CN disclosed
WO-2020150210-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2020-07-23 WO disclosed
WO-2020150210-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2020-07-23 WO disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
CN-1104639-A A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1995-07-05 CN disclosed
CN-1102183-A Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1995-05-03 CN disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP 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-20220089636-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF CACNA1I, TAAR5, TAAR1 ALDH1A1 525/4885MAPT 340/4885KDM4E 3659/4885

“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.