Sugi Predict

Sugi Predict / Compounds / SCHEMBL2095450

SCHEMBL2095450

SCHEMBL2095450

CC(C)c1ccccc1[CH]c1ccccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ GABRA1 P14867 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ CA2 P00918 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL3956144 0.84 GABRA1 (0.48) CYP3A4CYP2C19GABRA1TSHRGABRB2
SCHEMBL5435012 0.84 ALDH1A1 (0.48) ALDH1A1CYP2C19GABRA1TSHRGABRB2
SCHEMBL11390245 0.82 ALDH1A1 (0.38) CYP3A4ALDH1A1CYP2C19GABRA1TSHR
SCHEMBL20362657 0.81 ALOX12 (0.39) CYP3A4ALDH1A1CYP2C19GABRA1TSHR
SCHEMBL4667743 0.78 GABRA1 (0.46) CYP3A4ALDH1A1CYP2C19GABRA1TSHR
SCHEMBL29414888 0.78 GABRA1 (0.46) CYP3A4ALDH1A1CYP2C19GABRA1TSHR
Hydrogen Peroxide SCHEMBL49977 0.74 GABRA1 (0.48) CYP3A4ALDH1A1CYP2C19GABRA1TSHR
SCHEMBL3452696 0.72 ALDH1A1 (0.41) ALDH1A1CYP2C19GABRA1TSHRGABRB2
SCHEMBL50257 0.71 ALDH1A1 (0.38) CYP3A4ALDH1A1CYP2C19GABRA1TSHR
SCHEMBL11373224 0.71 GABRA1 (0.44) CYP3A4ALDH1A1CYP2C19GABRA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP3A4 1734/4885ALDH1A1 412/4885CYP2C19 1894/4885

“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.