SCHEMBL2090455

SCHEMBL2090455

COc1ccc(-c2ccno2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP19A1 P11511 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
NOTUM Q6P988 1/20 0.57
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
EGFR P00533 1/20 0.47
SCN4A P35499 1/20 0.47
TP53 P04637 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL4103711 0.94 CYP1A2 (0.57) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL28688499 0.85 CYP1A2 (0.56) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL9768763 0.82 NOTUM (0.77) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL2090452 0.80 CYP1A2 (0.57) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL28329742 0.78 CYP1A2 (0.64) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL30238219 0.78 CYP1A2 (0.64) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL2556889 0.77 RAB9A (0.65) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL14129960 0.77 CYP19A1 (1.00) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL4090826 0.76 CYP1A2 (0.53) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL22827782 0.74 CYP19A1 (0.94) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6

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
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
CN-104379578-B Carbamate compounds and its preparation and application 阿比德治疗公司 2017-06-09 CN claimed
US-20250257056-A1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-14 US disclosed
US-12319672-B2 Alpha-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-03 US disclosed
CN-115716822-B Application of benzimidazolyl isoxazoles in preparation of medicines related to multiple myeloma 徐州医科大学 2025-05-16 CN disclosed
CN-115716822-A Application of benzimidazolyl isoxazole compound in preparation of medicines related to multiple myeloma 徐州医科大学 2023-02-28 CN disclosed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
US-20220281855-A1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-08 US disclosed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
CN-110483430-A A kind of preparation method of Isoxazole derivative SHANGHAI INST TECH 2019-11-22 CN disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 CYP1A2 4772/4885CYP19A1 4799/4885CYP2C9 4796/4885
US-20250257056-A1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 CYP1A2 1221/4885CYP19A1 1383/4885CYP2C9 3082/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP1A2 420/4885CYP19A1 3013/4885CYP2C9 2206/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 CYP1A2 4772/4885CYP19A1 4809/4885CYP2C9 4834/4885
US-20220281855-A1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 CYP1A2 720/4885CYP19A1 2177/4885CYP2C9 1161/4885
US-12319672-B2 Alpha-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 CYP1A2 720/4885CYP19A1 2177/4885CYP2C9 1161/4885

“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.