SCHEMBL2096955

SCHEMBL2096955

[CH2]Oc1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.58
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPSR1 Q6W5P4 4/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
PKM P14618 2/20 0.58
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
ABCB11 O95342 1/20 0.58
TP53 P04637 1/20 0.58
GBA1 P04062 1/20 0.53
CDK1 P06493 1/20 0.53

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
SCHEMBL2096956 0.83 AMY1A (0.76) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL18898887 0.83 NPC1 (0.63) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL31027930 0.83 AMY1A (0.76) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL2090883 0.83 NPC1 (0.56) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL17880678 0.83 AMY1A (0.55) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL227743 0.82 NPC1 (0.78) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL38656902 0.81 AMY1A (0.56) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL12088079 0.80 PDE5A (0.68) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL465513 0.80 PDE5A (0.62) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL12545953 0.78 PDE5A (0.55) AMY1ANPC1RAB9AKDM4EALDH1A1

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 7 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
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 AMY1A 4653/4885NPC1 3130/4885RAB9A 3153/4885

“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.