SCHEMBL2090928

SCHEMBL2090928

CCOC(=O)Nc1ccccc1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NLRP3 Q96P20 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL28401182 0.87 ALDH1A1 (0.72) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL21059152 0.87 SMN1; SMN2 (0.54) ALDH1A1HPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL21059158 0.84 SMN1; SMN2 (0.66) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL21059231 0.83 SMN1; SMN2 (0.60) ALDH1A1HPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL6002183 0.83 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL30593915 0.82 NPC1 (0.71) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL69360 0.82 NPC1 (0.71) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL4824683 0.82 HPGD (0.50) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21059212 0.82 SMN1; SMN2 (0.59) ALDH1A1HPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL6287677 0.81 CYP1A2 (0.73) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5271231-A None JP disclosed
CN-112679447-B Preparation method of polysubstituted thiazole-2 (3H) -ketone compound 甘肃森瀚石油科技有限公司 2022-12-06 CN disclosed
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
CN-112679447-A Preparation method of polysubstituted thiazole-2 (3H) -ketone compound 兰州大学 2021-04-20 CN disclosed
US-10752579-B2 Production method of carbamic acid ester NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-08-25 US disclosed
EP-3508473-A1 METHOD FOR PRODUCING CARBAMIC ACID ESTER National Institute of Advanced Industrial Science and Technology (JP) 2019-07-10 EP disclosed
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-06-20 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
US-7439382-B2 4-alkyl-2-haloaniline derivatives and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-10-21 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
CN-100412067-C Process for synthesizing chiral thiazolidine-2-thioketone UNIV DONGHUA (CN) 2008-08-20 CN 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
CN-1951926-A Process for synthesizing chiral thiazolidine-2-thioketone UNIV DONGHUA (CN) 2007-04-25 CN disclosed
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2005-06-30 US disclosed
EP-1506954-A1 4-ALKYL-2-HALOANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-02-16 EP disclosed
JP-H05271231-A PRODUCTION OF @(3754/24)-)-GONIOMITINE CHISSO CORP 1993-10-19 JP disclosed
US-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US 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 ALDH1A1 412/4885HPGD 1951/4885CYP1A2 420/4885
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same NAT1, CYP4X1, HAX1 ALDH1A1 441/4885HPGD 1153/4885CYP1A2 4/4885
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 ALDH1A1 3215/4885HPGD 3008/4885CYP1A2 926/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 ALDH1A1 3215/4885HPGD 3008/4885CYP1A2 926/4885

“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.