SCHEMBL18504147

SCHEMBL18504147

COc1cccc(-n2nn[nH]c2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.50
S1PR4 O95977 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
S1PR1 P21453 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MGLL Q99685 1/20 0.49
PKM P14618 1/20 0.47
NOTUM Q6P988 1/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL5905873 0.85 CYP1A2 (0.42) CYP1A2L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL18503960 0.84 MAPT (0.48) CYP1A2RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18504314 0.84 NOTUM (0.43) CYP1A2L3MBTL1KMT2AHTTNOTUM
SCHEMBL8600506 0.83 MGLL (0.49) RAB9AALDH1A1MGLLNPC1NTRK1
SCHEMBL8598461 0.82 L3MBTL1 (0.48) CYP1A2L3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5905967 0.81 CYP1A2 (0.48) CYP1A2L3MBTL1RAB9AALDH1A1MAPT
SCHEMBL5906182 0.81 RXRA (0.40) CYP1A2L3MBTL1
SCHEMBL5906108 0.81 PIM1 (0.43) L3MBTL1HTTNOTUM
SCHEMBL22563818 0.81 CYP1A2 (0.37) CYP1A2L3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3239509 0.79 IDO1 (0.46) CYP1A2ALDH1A1HTTMGLLNOTUM

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-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
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP 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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 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

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 CYP1A2 189/4885L3MBTL1 2698/4885RAB9A 610/4885

“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.