SCHEMBL2089899

SCHEMBL2089899

[CH2]OCCCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.39
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
CYP1A2 P05177 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
SCHEMBL2097623 0.94 ALDH1A1 (0.56) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL2094639 0.81 ALDH1A1 (0.50) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL7094868 0.80 ALDH1A1 (0.67) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL11060991 0.80 ALDH1A1 (0.61) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL2089902 0.80 ALDH1A1 (0.49) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL270348 0.79
SCHEMBL7093157 0.78 ALDH1A1 (0.70) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL20956691 0.78 ALDH1A1 (0.55) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL5594015 0.77 ALDH1A1 (0.54) ALDH1A1HPGDTDP1USP2CYP3A4
SCHEMBL921220 0.77 ALDH1A1 (0.63) ALDH1A1HPGDTDP1USP2CYP3A4

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 ALDH1A1 412/4885HPGD 1951/4885TDP1 4548/4885

“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.