SCHEMBL2089965

SCHEMBL2089965

[CH2]Oc1c(-c2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
SMN1; SMN2 Q16637 10/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 5/20 0.56
MAPT P10636 3/20 0.56
USP2 O75604 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 9/20 0.53
TP53 P04637 3/20 0.53
PKM P14618 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
ABCB11 O95342 1/20 0.53
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL2089968 0.85 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL2090883 0.82 NPC1 (0.56) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL12153689 0.80 NPC1 (0.77) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL15497747 0.78 NPC1 (0.74) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL2096955 0.76 AMY1A (0.58) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL20677815 0.76 NPC1 (0.75) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL29386825 0.74 NPC1 (0.88) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL227743 0.74 NPC1 (0.78) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL2178266 0.74 NPC1 (0.88) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL2090887 0.74 AMY1A (0.63) ALDH1A1SMN1; SMN2HPGDMAPTNPC1

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 3 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

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 412/4885SMN1; SMN2 3787/4885HPGD 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.