SCHEMBL2092874

SCHEMBL2092874

[c]1c(-c2ccccc2)noc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
NOTUM Q6P988 2/20 0.39
CHUK O15111 1/20 0.38
CASP3 P42574 1/20 0.38
TXNRD1 Q16881 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
RAB9A P51151 8/20 0.37
NPC1 O15118 6/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 7/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35

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
SCHEMBL436193 0.89 CYP1A2 (0.47) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL314833 0.77 BRD4 (0.47) NR1H4CASP3SENP8SENP7SENP6
SCHEMBL6452695 0.74 ALDH1A1 (0.38) NR1H4NOTUMGPR55RAB9ANPC1
SCHEMBL6452700 0.72 NOTUM (0.43) NR1H4NOTUMGPR55RAB9ANPC1
SCHEMBL3645802 0.72 S1PR1 (0.40) NR1H4NOTUMBRD4BRD2L3MBTL1
SCHEMBL16863686 0.72 PTGS1 (0.42) NR1H4NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL3150963 0.70 MEN1 (0.38) NR1H4NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL7377440 0.69 ABCC4 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1PTGS1
SCHEMBL637899 0.64 ALDH1A1 (0.36) NR1H4NOTUMGPR55RAB9ANPC1
SCHEMBL20541496 0.62 ALDH1A1 (0.35) NR1H4NOTUMGPR55RAB9ANPC1

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 NR1H4 446/4885NOTUM 4043/4885CHUK 1961/4885

“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.