SCHEMBL902440

SCHEMBL902440

COc1ccc(OCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
MAPT P10636 1/20 0.48
NR1I2 O75469 1/20 0.48
ACHE P22303 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
APP P05067 4/20 0.47
IDO1 P14902 1/20 0.46
LTA4H P09960 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL15250568 0.93 ESR2 (0.58) CYP2C9TSHRCA12CA1CA2
SCHEMBL15250575 0.89 APP (0.64) CYP2C9TSHRCA12CA1CA2
Anisole SCHEMBL28064391 0.88 CA4 (0.64) CYP2C9TSHRMAPTLTA4H
SCHEMBL15250574 0.87 RELA (0.59) CYP2C9TSHRMAPT
SCHEMBL15250567 0.87 CYP2C9 (0.50) CYP2C9TSHRCA12CA1CA2
SCHEMBL717121 0.86 NQO1 (0.47) CYP2C9TSHRNR1I2APPLTA4H
SCHEMBL15250566 0.85 CYP2C9 (0.49) CYP2C9TSHRCA1CA2MAPT
SCHEMBL12922374 0.85 TSHR (0.49) CYP2C9TSHRCA12CA1CA2
SCHEMBL77535 0.80 ALDH1A1 (0.60) CYP2C9TSHRCA12CA1CA2
SCHEMBL15250569 0.80 CYP2C9 (0.44) CYP2C9TSHRCA12CA1CA2

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
EP-2049689-B1 NUCLEIC ACID AMPLIFICATION USING A REVERSIBLY MODIFIED OLIGONUCLEOTIDE BI WANLI (US) 2011-12-21 EP claimed
WO-1997041109-A1 SYNTHESIS OF (±) - CALICHEAMICINONE, PRECURSORS, INTERMEDIATES AND DERIVATIVES UNIVERSITY OF ALBERTA (CA) 1997-11-06 WO claimed
US-20220146742-A1 BACKLIGHT UNIT AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-05-12 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
WO-2012042541-A2 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-04-05 WO 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
WO-1997041109-A1 SYNTHESIS OF (±) - CALICHEAMICINONE, PRECURSORS, INTERMEDIATES AND DERIVATIVES UNIVERSITY OF ALBERTA (CA) 1997-11-06 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP2C9 2206/4885TSHR 162/4885CA12 3179/4885

“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.