SCHEMBL2092500

SCHEMBL2092500

COc1cc(OC)c(-c2nc(C[O])cs2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 10/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 1/20 0.44
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
TDP1 Q9NUW8 4/20 0.43
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
PPARG P37231 1/20 0.41
GFER P55789 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TP53 P04637 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL2092986 0.78 CYP1A1 (0.51) ALDH1A1KDM4EHPGDGAACYP1A1
SCHEMBL2089431 0.71 LMNA (0.39) ALDH1A1KDM4EHPGDGAATDP1
SCHEMBL2091665 0.67 GFER (0.49) ALDH1A1KDM4EHPGDGAATDP1
SCHEMBL3373976 0.67 KDM4E (0.72) ALDH1A1KDM4EHPGDGAACYP1A1
Difucol Hexamethyl Ether SCHEMBL505203 0.66 CYP1A2 (0.60) ALDH1A1CYP1A1CYP1B1MAPTLMNA
SCHEMBL2095717 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAACYP1A1
SCHEMBL2379547 0.66 ALDH1A1 (0.56) ALDH1A1KDM4EGAACYP1A1CYP1B1
SCHEMBL1047857 0.66 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL2090850 0.65 SHMT1 (0.44) ALDH1A1TDP1MAPTLMNAGFER
SCHEMBL2092290 0.65 LMNA (0.41) ALDH1A1KDM4EHPGDGAATDP1

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
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 (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 ALDH1A1 412/4885KDM4E 4578/4885HPGD 1951/4885

“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.