SCHEMBL2091998

SCHEMBL2091998

[O]c1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 8/20 0.53
HPGD P15428 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 4/20 0.53
TP53 P04637 4/20 0.53
HSD17B10 Q99714 4/20 0.53
KMT2A Q03164 2/20 0.53
GFER P55789 2/20 0.53
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
FTO Q9C0B1 1/20 0.53
NPBWR1 P48145 4/20 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
SCHEMBL2094029 0.83 ALDH1A1 (0.55) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2090649 0.83 HDAC3 (0.54) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL22649095 0.82 NPC1 (0.67) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2089777 0.80 NPBWR1 (0.55) NPBWR1CHEK2TNKSTNKS2
SCHEMBL3132123 0.80 NPC1 (0.68) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3336231 0.79 NPC1 (0.62) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3340830 0.79 KDM4E (0.65) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3340103 0.79 ATM (0.63) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2324234 0.79 NPC1 (0.62) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3335842 0.79 KDM4E (0.76) NPC1RAB9AGAAKDM4EALDH1A1

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 NPC1 3130/4885RAB9A 3153/4885GAA 3982/4885

“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.