SCHEMBL2094892

SCHEMBL2094892

[O]c1ccc(C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
NOTUM Q6P988 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL2094841 0.89 ESR2 (0.47) ESR2ESR1CYP3A4CYP2C9HDAC8
SCHEMBL4400574 0.88 ESR2 (0.63) ESR2POLBNPC1RAB9AESR1
SCHEMBL2096234 0.87 HTT (0.48) ESR2RAB9AHDAC8HDAC6HDAC1
SCHEMBL346890 0.87 HTT (0.48) ESR2RAB9AHDAC8HDAC6HDAC1
SCHEMBL2095015 0.87 HTT (0.48) ESR2RAB9AHDAC8HDAC6HDAC1
SCHEMBL2884020 0.84 ESR2 (0.57) ESR2POLBNPC1RAB9AESR1
SCHEMBL9815683 0.79 CYP2C9 (0.64) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL24961822 0.75 NPC1 (0.56) ESR2POLBNPC1RAB9AESR1
SCHEMBL5147779 0.75 ESR2 (0.54) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL5146632 0.73 ESR2 (0.52) ESR2POLBESR1CYP3A4CYP2C9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
CN-118239938-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 CN disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
US-11851440-B2 Modulators of eukaryotic initiation factor 2B, compositions and methods DENALI THERAPEUTICS INC. (US) 2023-12-26 US disclosed
WO-2023190472-A1 CYCLOHEXYLENEDIAMINIUM SALT, USE THEREOF, AND MSE TYPE ZEOLITE OBTAINED USING SAME 公益財団法人相模中央化学研究所 2023-10-05 WO disclosed
CN-111406059-B Europium complexes 东曹株式会社 2023-04-18 CN disclosed
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed
US-20220411433-A1 Modulators of eukaryotic initiation factor 2B, compositions and methods DENALI THERAPEUTICS INC. 2022-12-29 US disclosed
EP-3665156-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2020-06-17 EP disclosed
CN-111094233-A Compounds, compositions and methods 戴纳立制药公司 2020-05-01 CN disclosed
WO-2019032743-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2019-02-14 WO disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (4 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ESR2 338/4885POLB 757/4885NPC1 3130/4885
US-11851440-B2 Modulators of eukaryotic initiation factor 2B, compositions and methods EIF4EBP1, EIF4B, EIF2B2 ESR2 2266/4885POLB 396/4885NPC1 1773/4885
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 ESR2 3563/4885POLB 4575/4885NPC1 4172/4885
US-20220411433-A1 Modulators of eukaryotic initiation factor 2B, compositions and methods EIF4EBP1, EIF4B, EIF2B2 ESR2 2266/4885POLB 396/4885NPC1 1773/4885

“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.